LC PestiMix 6 10 µg/mL in Acetonitrile
Product Code
DRE-A50000806AL
CAS Number
75 AnalytesProduct Format
Mixture
Solvent
Acetonitrile
Product Categories
Dr. Ehrenstorfer, Pesticide and Metabolite Reference Materials , Pesticide & Metabolite Reference Materials and Research Chemicals
Product Type
Native/ParentShare product
- Product Name: LC PestiMix 6 10 µg/mL in Acetonitrile
- Product Code: DRE-A50000806AL
- Brand: Dr. Ehrenstorfer
Documentation
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Product Information
Analyte Data
Analyte Name
Measured Value
CAS Number
Molecular Structure
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Molecular Formula
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Molecular Weight
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Melting Point
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SMILES
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InChI
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IUPAC
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Aconitine
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C34 H47 N O11
Molecular Weight
645.74
Accurate Mass
645.3149
SMILES
CCN1C[C@]2(COC)[C@H](O)C[C@H](OC)[C@@]34[C@@H]5C[C@]6(O)[C@@H](OC)[C@H](O)[C@](OC(=O)C)([C@@H]([C@H](OC)[C@H]23)[C@@H]14)[C@H]5[C@H]6OC(=O)c7ccccc7
InChI
InChI=1S/C34H47NO11/c1-7-35-15-31(16-41-3)20(37)13-21(42-4)33-19-14-32(40)28(45-30(39)18-11-9-8-10-12-18)22(19)34(46-17(2)36,27(38)29(32)44-6)23(26(33)35)24(43-5)25(31)33/h8-12,19-29,37-38,40H,7,13-16H2,1-6H3/t19-,20-,21+,22-,23+,24+,25-,26-,27+,28-,29+,31+,32-,33+,34-/m1/s1
IUPAC
[(1S,2R,3R,4R,5R,6S,7S,8R,9R,13R,14R,16S,17S,18R)-8-acetyloxy-11-ethyl-5,7,14-trihydroxy-6,16,18-trimethoxy-13-(methoxymethyl)-11-azahexacyclo[7.7.2.12,5.01,10.03,8.013,17]nonadecan-4-yl] benzoate
Asulam
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C8 H10 N2 O4 S
Molecular Weight
230.24
Accurate Mass
230.0361
SMILES
COC(=O)NS(=O)(=O)c1ccc(N)cc1
InChI
InChI=1S/C8H10N2O4S/c1-14-8(11)10-15(12,13)7-4-2-6(9)3-5-7/h2-5H,9H2,1H3,(H,10,11)
IUPAC
methyl N-(4-aminophenyl)sulfonylcarbamate
Atrazine-desisopropyl
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C5 H8 Cl N5
Molecular Weight
173.60
Accurate Mass
173.0468
SMILES
CCNc1nc(N)nc(Cl)n1
InChI
InChI=1S/C5H8ClN5/c1-2-8-5-10-3(6)9-4(7)11-5/h2H2,1H3,(H3,7,8,9,10,11)
IUPAC
6-chloro-4-N-ethyl-1,3,5-triazine-2,4-diamine
Benzthiazuron
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C9 H9 N3 O S
Molecular Weight
207.25
Accurate Mass
207.0466
SMILES
CNC(=O)Nc1nc2ccccc2s1
InChI
InChI=1S/C9H9N3OS/c1-10-8(13)12-9-11-6-4-2-3-5-7(6)14-9/h2-5H,1H3,(H2,10,11,12,13)
IUPAC
1-(1,3-benzothiazol-2-yl)-3-methylurea
Bromuconazole
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C13 H12 Br Cl2 N3 O
Molecular Weight
377.06
Accurate Mass
374.9541
SMILES
Clc1ccc(c(Cl)c1)C2(Cn3cncn3)CC(Br)CO2
InChI
InChI=1S/C13H12BrCl2N3O/c14-9-4-13(20-5-9,6-19-8-17-7-18-19)11-2-1-10(15)3-12(11)16/h1-3,7-9H,4-6H2
IUPAC
1-[[4-bromo-2-(2,4-dichlorophenyl)oxolan-2-yl]methyl]-1,2,4-triazole
Bufencarb
CAS Number
Alternate CAS Number
Unlabelled CAS Number
-
Molecular Formula
2 C13 H19 N O2
Molecular Weight
442.59
Accurate Mass
442.2832
SMILES
CCCC(C)c1cccc(OC(=O)NC)c1.CCC(CC)c2cccc(OC(=O)NC)c2
InChI
InChI=1S/2C13H19NO2/c1-4-6-10(2)11-7-5-8-12(9-11)16-13(15)14-3;1-4-10(5-2)11-7-6-8-12(9-11)16-13(15)14-3/h5,7-10H,4,6H2,1-3H3,(H,14,15);6-10H,4-5H2,1-3H3,(H,14,15)
IUPAC
(3-pentan-2-ylphenyl) N-methylcarbamate;(3-pentan-3-ylphenyl) N-methylcarbamate
Butroxydim
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C24 H33 N O4
Molecular Weight
399.52
Accurate Mass
399.241
SMILES
CCCC(=O)c1c(C)cc(C)c(C2CC(=C(\C(=N\OCC)\CC)C(=O)C2)O)c1C
InChI
InChI=1S/C24H33NO4/c1-7-10-19(26)23-15(5)11-14(4)22(16(23)6)17-12-20(27)24(21(28)13-17)18(8-2)25-29-9-3/h11,17,27H,7-10,12-13H2,1-6H3/b25-18+
IUPAC
5-(3-butanoyl-2,4,6-trimethylphenyl)-2-[(E)-N-ethoxy-C-ethylcarbonimidoyl]-3-hydroxycyclohex-2-en-1-one
Butylate
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C11 H23 N O S
Molecular Weight
217.37
Accurate Mass
217.15
SMILES
CCSC(=O)N(CC(C)C)CC(C)C
InChI
InChI=1S/C11H23NOS/c1-6-14-11(13)12(7-9(2)3)8-10(4)5/h9-10H,6-8H2,1-5H3
IUPAC
S-ethyl N,N-bis(2-methylpropyl)carbamothioate
Chlorimuron-ethyl
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C15 H15 Cl N4 O6 S
Molecular Weight
414.82
Accurate Mass
414.0401
SMILES
CCOC(=O)c1ccccc1S(=O)(=O)NC(=O)Nc2nc(Cl)cc(OC)n2
InChI
InChI=1S/C15H15ClN4O6S/c1-3-26-13(21)9-6-4-5-7-10(9)27(23,24)20-15(22)19-14-17-11(16)8-12(18-14)25-2/h4-8H,3H2,1-2H3,(H2,17,18,19,20,22)
IUPAC
ethyl 2-[(4-chloro-6-methoxypyrimidin-2-yl)carbamoylsulfamoyl]benzoate
Chlorobenzuron
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C14 H10 Cl2 N2 O2
Molecular Weight
309.15
Accurate Mass
308.0119
SMILES
Clc1ccc(NC(=O)NC(=O)c2ccccc2Cl)cc1
InChI
InChI=1S/C14H10Cl2N2O2/c15-9-5-7-10(8-6-9)17-14(20)18-13(19)11-3-1-2-4-12(11)16/h1-8H,(H2,17,18,19,20)
IUPAC
2-chloro-N-[(4-chlorophenyl)carbamoyl]benzamide
Clarithromycin
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C38 H69 N O13
Molecular Weight
747.95
Accurate Mass
747.4769
SMILES
CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@H]2C[C@@](C)(OC)[C@@H](O)[C@H](C)O2)[C@H](C)[C@@H](O[C@@H]3O[C@H](C)C[C@@H]([C@H]3O)N(C)C)[C@@](C)(C[C@@H](C)C(=O)[C@H](C)[C@@H](O)[C@]1(C)O)OC
InChI
InChI=1S/C38H69NO13/c1-15-26-38(10,45)31(42)21(4)28(40)19(2)17-37(9,47-14)33(52-35-29(41)25(39(11)12)16-20(3)48-35)22(5)30(23(6)34(44)50-26)51-27-18-36(8,46-13)32(43)24(7)49-27/h19-27,29-33,35,41-43,45H,15-18H2,1-14H3/t19-,20-,21+,22+,23-,24+,25+,26-,27+,29-,30+,31-,32+,33-,35+,36-,37-,38-/m1/s1
IUPAC
(3R,4S,5S,6R,7R,9R,11R,12R,13S,14R)-6-[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-14-ethyl-12,13-dihydroxy-4-[(2R,4R,5S,6S)-5-hydroxy-4-methoxy-4,6-dimethyloxan-2-yl]oxy-7-methoxy-3,5,7,9,11,13-hexamethyl-oxacyclotetradecane-2,10-dione
Clodinafop free acid
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C14 H11 Cl F N O4
Molecular Weight
311.69
Accurate Mass
311.0361
SMILES
C[C@@H](Oc1ccc(Oc2ncc(Cl)cc2F)cc1)C(=O)O
InChI
InChI=1S/C14H11ClFNO4/c1-8(14(18)19)20-10-2-4-11(5-3-10)21-13-12(16)6-9(15)7-17-13/h2-8H,1H3,(H,18,19)/t8-/m1/s1
IUPAC
(2R)-2-[4-(5-chloro-3-fluoropyridin-2-yl)oxyphenoxy]propanoic acid
Cloransulam-methyl
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C15 H13 Cl F N5 O5 S
Molecular Weight
429.81
Accurate Mass
429.031
SMILES
CCOc1nc(F)cc2nc(nn12)S(=O)(=O)Nc3c(Cl)cccc3C(=O)OC
InChI
InChI=1S/C15H13ClFN5O5S/c1-3-27-15-18-10(17)7-11-19-14(20-22(11)15)28(24,25)21-12-8(13(23)26-2)5-4-6-9(12)16/h4-7,21H,3H2,1-2H3
IUPAC
methyl 3-chloro-2-[(5-ethoxy-7-fluoro-[1,2,4]triazolo[1,5-c]pyrimidin-2-yl)sulfonylamino]benzoate
Coumaphos-oxon
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C14 H16 Cl O6 P
Molecular Weight
346.70
Accurate Mass
346.0373
SMILES
CCOP(=O)(OCC)Oc1ccc2C(=C(Cl)C(=O)Oc2c1)C
InChI
InChI=1S/C14H16ClO6P/c1-4-18-22(17,19-5-2)21-10-6-7-11-9(3)13(15)14(16)20-12(11)8-10/h6-8H,4-5H2,1-3H3
IUPAC
(3-chloro-4-methyl-2-oxochromen-7-yl) diethyl phosphate
Cyclanilide
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C11 H9 Cl2 N O3
Molecular Weight
274.10
Accurate Mass
272.9959
SMILES
OC(=O)C1(CC1)C(=O)Nc2ccc(Cl)cc2Cl
InChI
InChI=1S/C11H9Cl2NO3/c12-6-1-2-8(7(13)5-6)14-9(15)11(3-4-11)10(16)17/h1-2,5H,3-4H2,(H,14,15)(H,16,17)
IUPAC
1-[(2,4-dichlorophenyl)carbamoyl]cyclopropane-1-carboxylic acid
Cycloheximide
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C15 H23 N O4
Molecular Weight
281.35
Accurate Mass
281.1627
SMILES
C[C@H]1C[C@H](C)C(=O)[C@@H](C1)[C@H](O)CC2CC(=O)NC(=O)C2
InChI
InChI=1S/C15H23NO4/c1-8-3-9(2)15(20)11(4-8)12(17)5-10-6-13(18)16-14(19)7-10/h8-12,17H,3-7H2,1-2H3,(H,16,18,19)/t8-,9-,11-,12+/m0/s1
IUPAC
4-[(2R)-2-[(1S,3S,5S)-3,5-dimethyl-2-oxocyclohexyl]-2-hydroxyethyl]piperidine-2,6-dione
Cyclosulfamuron
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C17 H19 N5 O6 S
Molecular Weight
421.43
Accurate Mass
421.1056
SMILES
COc1cc(OC)nc(NC(=O)NS(=O)(=O)Nc2ccccc2C(=O)C3CC3)n1
InChI
InChI=1S/C17H19N5O6S/c1-27-13-9-14(28-2)19-16(18-13)20-17(24)22-29(25,26)21-12-6-4-3-5-11(12)15(23)10-7-8-10/h3-6,9-10,21H,7-8H2,1-2H3,(H2,18,19,20,22,24)
IUPAC
1-[[2-(cyclopropanecarbonyl)phenyl]sulfamoyl]-3-(4,6-dimethoxypyrimidin-2-yl)urea
Cyflufenamid
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C20 H17 F5 N2 O2
Molecular Weight
412.35
Accurate Mass
412.121
SMILES
Fc1ccc(c(\C(=N\OCC2CC2)\NC(=O)Cc3ccccc3)c1F)C(F)(F)F
InChI
InChI=1S/C20H17F5N2O2/c21-15-9-8-14(20(23,24)25)17(18(15)22)19(27-29-11-13-6-7-13)26-16(28)10-12-4-2-1-3-5-12/h1-5,8-9,13H,6-7,10-11H2,(H,26,27,28)
IUPAC
N-[(Z)-N-(cyclopropylmethoxy)-C-[2,3-difluoro-6-(trifluoromethyl)phenyl]carbonimidoyl]-2-phenylacetamide
Cyprosulfamide
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C18 H18 N2 O5 S
Molecular Weight
374.41
Accurate Mass
374.0936
SMILES
COc1ccccc1C(=O)NS(=O)(=O)c2ccc(cc2)C(=O)NC3CC3
InChI
InChI=1S/C18H18N2O5S/c1-25-16-5-3-2-4-15(16)18(22)20-26(23,24)14-10-6-12(7-11-14)17(21)19-13-8-9-13/h2-7,10-11,13H,8-9H2,1H3,(H,19,21)(H,20,22)
IUPAC
N-[4-(cyclopropylcarbamoyl)phenyl]sulfonyl-2-methoxybenzamide
Daimuron (Dymron)
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C17 H20 N2 O
Molecular Weight
268.35
Accurate Mass
268.1576
SMILES
Cc1ccc(NC(=O)NC(C)(C)c2ccccc2)cc1
InChI
InChI=1S/C17H20N2O/c1-13-9-11-15(12-10-13)18-16(20)19-17(2,3)14-7-5-4-6-8-14/h4-12H,1-3H3,(H2,18,19,20)
IUPAC
1-(4-methylphenyl)-3-(2-phenylpropan-2-yl)urea
Dimepiperate
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C15 H21 N O S
Molecular Weight
263.40
Accurate Mass
263.1344
SMILES
CC(C)(SC(=O)N1CCCCC1)c2ccccc2
InChI
InChI=1S/C15H21NOS/c1-15(2,13-9-5-3-6-10-13)18-14(17)16-11-7-4-8-12-16/h3,5-6,9-10H,4,7-8,11-12H2,1-2H3
IUPAC
S-(2-phenylpropan-2-yl) piperidine-1-carbothioate
Diphenyl Phosphate
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C12 H11 O4 P
Molecular Weight
250.19
Accurate Mass
250.0395
SMILES
OP(=O)(Oc1ccccc1)Oc2ccccc2
InChI
InChI=1S/C12H11O4P/c13-17(14,15-11-7-3-1-4-8-11)16-12-9-5-2-6-10-12/h1-10H,(H,13,14)
IUPAC
diphenyl hydrogen phosphate
Dithiopyr
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C15 H16 F5 N O2 S2
Molecular Weight
401.42
Accurate Mass
401.0543
SMILES
CSC(=O)c1c(CC(C)C)c(C(=O)SC)c(nc1C(F)F)C(F)(F)F
InChI
InChI=1S/C15H16F5NO2S2/c1-6(2)5-7-8(13(22)24-3)10(12(16)17)21-11(15(18,19)20)9(7)14(23)25-4/h6,12H,5H2,1-4H3
IUPAC
3-S,5-S-dimethyl 2-(difluoromethyl)-4-(2-methylpropyl)-6-(trifluoromethyl)pyridine-3,5-dicarbothioate
Dodecylguanidinium Acetate
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C13 H29 N3 . C2 H4 O2
Molecular Weight
287.44
Accurate Mass
287.2573
SMILES
CCCCCCCCCCCCNC(=N)N.CC(=O)O
InChI
InChI=1S/C13H29N3.C2H4O2/c1-2-3-4-5-6-7-8-9-10-11-12-16-13(14)15;1-2(3)4/h2-12H2,1H3,(H4,14,15,16);1H3,(H,3,4)
IUPAC
acetic acid;1-dodecylguanidine
Emamectin
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C49 H75 N O13 . C48 H73 N O13
Molecular Weight
1758.21
Accurate Mass
1757.032
SMILES
CC[C@H](C)[C@H]1O[C@@]2(C[C@@H]3C[C@@H](C\C=C(/C)\[C@@H](O[C@H]4C[C@H](OC)[C@@H](O[C@H]5C[C@H](OC)[C@H](NC)[C@H](C)O5)[C@H](C)O4)[C@@H](C)\C=C\C=C\6/CO[C@@H]7[C@H](O)C(=C[C@@H](C(=O)O3)[C@]67O)C)O2)C=C[C@@H]1C.CN[C@@H]8[C@H](C)O[C@H](C[C@@H]8OC)O[C@H]9[C@H](C)O[C@H](C[C@@H]9OC)O[C@H]%10[C@@H](C)\C=C\C=C\%11/CO[C@@H]%12[C@H](O)C(=C[C@@H](C(=O)O[C@H]%13C[C@@H](C\C=C\%10/C)O[C@@]%14(C%13)O[C@H](C(C)C)[C@@H](C)C=C%14)[C@]%11%12O)C
InChI
InChI=1S/C49H75NO13.C48H73NO13/c1-12-26(2)44-29(5)18-19-48(63-44)24-35-21-34(62-48)17-16-28(4)43(27(3)14-13-15-33-25-56-46-42(51)30(6)20-36(47(52)59-35)49(33,46)53)60-40-23-38(55-11)45(32(8)58-40)61-39-22-37(54-10)41(50-9)31(7)57-39;1-25(2)42-28(5)17-18-47(62-42)23-34-20-33(61-47)16-15-27(4)43(26(3)13-12-14-32-24-55-45-41(50)29(6)19-35(46(51)58-34)48(32,45)52)59-39-22-37(54-11)44(31(8)57-39)60-38-21-36(53-10)40(49-9)30(7)56-38/h13-16,18-20,26-27,29,31-32,34-46,50-51,53H,12,17,21-25H2,1-11H3;12-15,17-19,25-26,28,30-31,33-45,49-50,52H,16,20-24H2,1-11H3/b14-13+,28-16+,33-15+;13-12+,27-15+,32-14+/t26-,27-,29-,31-,32-,34+,35-,36-,37-,38-,39-,40-,41+,42+,43-,44+,45-,46+,48+,49+;26-,28-,30-,31-,33+,34-,35-,36-,37-,38-,39-,40+,41+,42+,43-,44-,45+,47+,48+/m00/s1
Ethametsulfuron-methyl
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C15 H18 N6 O6 S
Molecular Weight
410.40
Accurate Mass
410.1009
SMILES
CCOc1nc(NC)nc(NC(=O)NS(=O)(=O)c2ccccc2C(=O)OC)n1
InChI
InChI=1S/C15H18N6O6S/c1-4-27-15-19-12(16-2)17-13(20-15)18-14(23)21-28(24,25)10-8-6-5-7-9(10)11(22)26-3/h5-8H,4H2,1-3H3,(H3,16,17,18,19,20,21,23)
IUPAC
methyl 2-[[4-ethoxy-6-(methylamino)-1,3,5-triazin-2-yl]carbamoylsulfamoyl]benzoate
Fenoxanil
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C15 H18 Cl2 N2 O2
Molecular Weight
329.22
Accurate Mass
328.0745
SMILES
CC(C)C(C)(NC(=O)C(C)Oc1ccc(Cl)cc1Cl)C#N
InChI
InChI=1S/C15H18Cl2N2O2/c1-9(2)15(4,8-18)19-14(20)10(3)21-13-6-5-11(16)7-12(13)17/h5-7,9-10H,1-4H3,(H,19,20)
IUPAC
N-(2-cyano-3-methylbutan-2-yl)-2-(2,4-dichlorophenoxy)propanamide
Fluazifop (free acid)
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C15 H12 F3 N O4
Molecular Weight
327.26
Accurate Mass
327.0718
SMILES
CC(Oc1ccc(Oc2ccc(cn2)C(F)(F)F)cc1)C(=O)O
InChI
InChI=1S/C15H12F3NO4/c1-9(14(20)21)22-11-3-5-12(6-4-11)23-13-7-2-10(8-19-13)15(16,17)18/h2-9H,1H3,(H,20,21)
IUPAC
2-[4-[5-(trifluoromethyl)pyridin-2-yl]oxyphenoxy]propanoic acid
Fluazifop-butyl
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C19 H20 F3 N O4
Molecular Weight
383.36
Accurate Mass
383.1344
SMILES
CCCCOC(=O)C(C)Oc1ccc(Oc2ccc(cn2)C(F)(F)F)cc1
InChI
InChI=1S/C19H20F3NO4/c1-3-4-11-25-18(24)13(2)26-15-6-8-16(9-7-15)27-17-10-5-14(12-23-17)19(20,21)22/h5-10,12-13H,3-4,11H2,1-2H3
IUPAC
butyl 2-[4-[5-(trifluoromethyl)pyridin-2-yl]oxyphenoxy]propanoate
Fluazuron
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C20 H10 Cl2 F5 N3 O3
Molecular Weight
506.21
Accurate Mass
505.0019
SMILES
Fc1cccc(F)c1C(=O)NC(=O)Nc2ccc(Cl)c(Oc3ncc(cc3Cl)C(F)(F)F)c2
InChI
InChI=1S/C20H10Cl2F5N3O3/c21-11-5-4-10(29-19(32)30-17(31)16-13(23)2-1-3-14(16)24)7-15(11)33-18-12(22)6-9(8-28-18)20(25,26)27/h1-8H,(H2,29,30,31,32)
IUPAC
N-[[4-chloro-3-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]oxyphenyl]carbamoyl]-2,6-difluorobenzamide
Flucarbazone-sodium
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C12 H10 F3 N4 O6 S . Na
Molecular Weight
418.28
Accurate Mass
418.0171
SMILES
[Na+].COC1=NN(C(=O)[N-]S(=O)(=O)c2ccccc2OC(F)(F)F)C(=O)N1C
InChI
InChI=1S/C12H11F3N4O6S.Na/c1-18-10(24-2)16-19(11(18)21)9(20)17-26(22,23)8-6-4-3-5-7(8)25-12(13,14)15;/h3-6H,1-2H3,(H,17,20);/q;+1/p-1
IUPAC
sodium;(3-methoxy-4-methyl-5-oxo-1,2,4-triazole-1-carbonyl)-[2-(trifluoromethoxy)phenyl]sulfonylazanide
Flucycloxuron
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C25 H20 Cl F2 N3 O3
Molecular Weight
483.89
Accurate Mass
483.1161
SMILES
Fc1cccc(F)c1C(=O)NC(=O)Nc2ccc(CON=C(C3CC3)c4ccc(Cl)cc4)cc2
InChI
InChI=1S/C25H20ClF2N3O3/c26-18-10-8-17(9-11-18)23(16-6-7-16)31-34-14-15-4-12-19(13-5-15)29-25(33)30-24(32)22-20(27)2-1-3-21(22)28/h1-5,8-13,16H,6-7,14H2,(H2,29,30,32,33)
IUPAC
N-[[4-[[[(4-chlorophenyl)-cyclopropylmethylidene]amino]oxymethyl]phenyl]carbamoyl]-2,6-difluorobenzamide
Flumorph
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C21 H22 F N O4
Molecular Weight
371.40
Accurate Mass
371.1533
SMILES
COc1ccc(cc1OC)C(=CC(=O)N2CCOCC2)c3ccc(F)cc3
InChI
InChI=1S/C21H22FNO4/c1-25-19-8-5-16(13-20(19)26-2)18(15-3-6-17(22)7-4-15)14-21(24)23-9-11-27-12-10-23/h3-8,13-14H,9-12H2,1-2H3
IUPAC
3-(3,4-dimethoxyphenyl)-3-(4-fluorophenyl)-1-morpholin-4-ylprop-2-en-1-one
Fluopicolide
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C14 H8 Cl3 F3 N2 O
Molecular Weight
383.58
Accurate Mass
381.9654
SMILES
FC(F)(F)c1cnc(CNC(=O)c2c(Cl)cccc2Cl)c(Cl)c1
InChI
InChI=1S/C14H8Cl3F3N2O/c15-8-2-1-3-9(16)12(8)13(23)22-6-11-10(17)4-7(5-21-11)14(18,19)20/h1-5H,6H2,(H,22,23)
IUPAC
2,6-dichloro-N-[[3-chloro-5-(trifluoromethyl)pyridin-2-yl]methyl]benzamide
Flupyradifurone
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C12 H11 Cl F2 N2 O2
Molecular Weight
288.68
Accurate Mass
288.0477
SMILES
FC(F)CN(Cc1ccc(Cl)nc1)C2=CC(=O)OC2
InChI
InChI=1S/C12H11ClF2N2O2/c13-10-2-1-8(4-16-10)5-17(6-11(14)15)9-3-12(18)19-7-9/h1-4,11H,5-7H2
IUPAC
3-[(6-chloropyridin-3-yl)methyl-(2,2-difluoroethyl)amino]-2H-furan-5-one
Flurtamone
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C18 H14 F3 N O2
Molecular Weight
333.30
Accurate Mass
333.0977
SMILES
CNC1=C(C(=O)C(O1)c2ccccc2)c3cccc(c3)C(F)(F)F
InChI
InChI=1S/C18H14F3NO2/c1-22-17-14(12-8-5-9-13(10-12)18(19,20)21)15(23)16(24-17)11-6-3-2-4-7-11/h2-10,16,22H,1H3
IUPAC
5-(methylamino)-2-phenyl-4-[3-(trifluoromethyl)phenyl]furan-3-one
Fonofos
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C10 H15 O P S2
Molecular Weight
246.33
Accurate Mass
246.0302
SMILES
CCOP(=S)(CC)Sc1ccccc1
InChI
InChI=1S/C10H15OPS2/c1-3-11-12(13,4-2)14-10-8-6-5-7-9-10/h5-9H,3-4H2,1-2H3
IUPAC
ethoxy-ethyl-phenylsulfanyl-sulfanylidene-?^{5}-phosphane
Furilazole
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C11 H13 Cl2 N O3
Molecular Weight
278.13
Accurate Mass
277.0272
SMILES
CC1(C)OC(CN1C(=O)C(Cl)Cl)c2occc2
InChI
InChI=1S/C11H13Cl2NO3/c1-11(2)14(10(15)9(12)13)6-8(17-11)7-4-3-5-16-7/h3-5,8-9H,6H2,1-2H3
IUPAC
2,2-dichloro-1-[5-(furan-2-yl)-2,2-dimethyl-1,3-oxazolidin-3-yl]ethanone
Imazethapyr
CAS Number
Alternate CAS Number
Unlabelled CAS Number
-
Molecular Formula
C15 H19 N3 O3
Molecular Weight
289.33
Accurate Mass
289.1426
SMILES
CCc1cnc(C2=NC(C)(C(C)C)C(=O)N2)c(c1)C(=O)O
InChI
InChI=1S/C15H19N3O3/c1-5-9-6-10(13(19)20)11(16-7-9)12-17-14(21)15(4,18-12)8(2)3/h6-8H,5H2,1-4H3,(H,19,20)(H,17,18,21)
IUPAC
5-ethyl-2-(4-methyl-5-oxo-4-propan-2-yl-1H-imidazol-2-yl)pyridine-3-carboxylic acid
Imidacloprid-olefin
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C9 H10 Cl N5 O2
Molecular Weight
254.65
Accurate Mass
253.0367
SMILES
[O-][N+](=O)\N=C\1/NC=CN1Cc2ccc(Cl)nc2
InChI
InChI=1S/C9H8ClN5O2/c10-8-2-1-7(5-12-8)6-14-4-3-11-9(14)13-15(16)17/h1-5H,6H2,(H,11,13)
IUPAC
(NE)-N-[3-[(6-chloropyridin-3-yl)methyl]-1H-imidazol-2-ylidene]nitramide
Inabenfide
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C19 H15 Cl N2 O2
Molecular Weight
338.79
Accurate Mass
338.0822
SMILES
OC(c1ccccc1)c2cc(Cl)ccc2NC(=O)c3ccncc3
InChI
InChI=1S/C19H15ClN2O2/c20-15-6-7-17(22-19(24)14-8-10-21-11-9-14)16(12-15)18(23)13-4-2-1-3-5-13/h1-12,18,23H,(H,22,24)
IUPAC
N-[4-chloro-2-[hydroxy(phenyl)methyl]phenyl]pyridine-4-carboxamide
Isopropalin
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C15 H23 N3 O4
Molecular Weight
309.36
Accurate Mass
309.1689
SMILES
CCCN(CCC)c1c(cc(cc1[N+](=O)[O-])C(C)C)[N+](=O)[O-]
InChI
InChI=1S/C15H23N3O4/c1-5-7-16(8-6-2)15-13(17(19)20)9-12(11(3)4)10-14(15)18(21)22/h9-11H,5-8H2,1-4H3
IUPAC
2,6-dinitro-4-propan-2-yl-N,N-dipropylaniline
Isouron
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C10 H17 N3 O2
Molecular Weight
211.26
Accurate Mass
211.1321
SMILES
CN(C)C(=O)Nc1cc(on1)C(C)(C)C
InChI
InChI=1S/C10H17N3O2/c1-10(2,3)7-6-8(12-15-7)11-9(14)13(4)5/h6H,1-5H3,(H,11,12,14)
IUPAC
3-(5-tert-butyl-1,2-oxazol-3-yl)-1,1-dimethylurea
Karbutilate
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C14 H21 N3 O3
Molecular Weight
279.33
Accurate Mass
279.1583
SMILES
CN(C)C(=O)Nc1cccc(OC(=O)NC(C)(C)C)c1
InChI
InChI=1S/C14H21N3O3/c1-14(2,3)16-13(19)20-11-8-6-7-10(9-11)15-12(18)17(4)5/h6-9H,1-5H3,(H,15,18)(H,16,19)
IUPAC
[3-(dimethylcarbamoylamino)phenyl] N-tert-butylcarbamate
Metosulam
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C14 H13 Cl2 N5 O4 S
Molecular Weight
418.26
Accurate Mass
417.0065
SMILES
COc1cc(OC)n2nc(nc2n1)S(=O)(=O)Nc3c(Cl)ccc(C)c3Cl
InChI
InChI=1S/C14H13Cl2N5O4S/c1-7-4-5-8(15)12(11(7)16)20-26(22,23)14-18-13-17-9(24-2)6-10(25-3)21(13)19-14/h4-6,20H,1-3H3
IUPAC
N-(2,6-dichloro-3-methylphenyl)-5,7-dimethoxy-[1,2,4]triazolo[1,5-a]pyrimidine-2-sulfonamide
N-Phenylurea
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C7 H8 N2 O
Molecular Weight
136.15
Accurate Mass
136.0637
SMILES
NC(=O)Nc1ccccc1
InChI
InChI=1S/C7H8N2O/c8-7(10)9-6-4-2-1-3-5-6/h1-5H,(H3,8,9,10)
IUPAC
phenylurea
Norflurazon
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C12 H9 Cl F3 N3 O
Molecular Weight
303.67
Accurate Mass
303.0386
SMILES
CNC1=C(Cl)C(=O)N(N=C1)c2cccc(c2)C(F)(F)F
InChI
InChI=1S/C12H9ClF3N3O/c1-17-9-6-18-19(11(20)10(9)13)8-4-2-3-7(5-8)12(14,15)16/h2-6,17H,1H3
IUPAC
4-chloro-5-(methylamino)-2-[3-(trifluoromethyl)phenyl]pyridazin-3-one
Norflurazon-desmethyl
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C11 H7 Cl F3 N3 O
Molecular Weight
289.64
Accurate Mass
289.023
SMILES
NC1=C(Cl)C(=O)N(N=C1)c2cccc(c2)C(F)(F)F
InChI
InChI=1S/C11H7ClF3N3O/c12-9-8(16)5-17-18(10(9)19)7-3-1-2-6(4-7)11(13,14)15/h1-5H,16H2
IUPAC
5-amino-4-chloro-2-[3-(trifluoromethyl)phenyl]pyridazin-3-one
Pebulate
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C10 H21 N O S
Molecular Weight
203.34
Accurate Mass
203.1344
SMILES
CCCCN(CC)C(=O)SCCC
InChI
InChI=1S/C10H21NOS/c1-4-7-8-11(6-3)10(12)13-9-5-2/h4-9H2,1-3H3
IUPAC
S-propyl N-butyl-N-ethylcarbamothioate
Penfluron
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C15 H9 F5 N2 O2
Molecular Weight
344.24
Accurate Mass
344.0584
SMILES
Fc1cccc(F)c1C(=O)NC(=O)Nc2ccc(cc2)C(F)(F)F
InChI
InChI=1S/C15H9F5N2O2/c16-10-2-1-3-11(17)12(10)13(23)22-14(24)21-9-6-4-8(5-7-9)15(18,19)20/h1-7H,(H2,21,22,23,24)
IUPAC
2,6-difluoro-N-[[4-(trifluoromethyl)phenyl]carbamoyl]benzamide
Probenazole
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C10 H9 N O3 S
Molecular Weight
223.25
Accurate Mass
223.0303
SMILES
C=CCOC1=NS(=O)(=O)c2ccccc12
InChI
InChI=1S/C10H9NO3S/c1-2-7-14-10-8-5-3-4-6-9(8)15(12,13)11-10/h2-6H,1,7H2
IUPAC
3-prop-2-enoxy-1,2-benzothiazole 1,1-dioxide
Procyazine
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C10 H13 Cl N6
Molecular Weight
252.7034
Accurate Mass
252.089
SMILES
CC(C)(Nc1nc(Cl)nc(NC2CC2)n1)C#N
InChI
InChI=1S/C10H13ClN6/c1-10(2,5-12)17-9-15-7(11)14-8(16-9)13-6-3-4-6/h6H,3-4H2,1-2H3,(H2,13,14,15,16,17)
IUPAC
2-[[4-chloro-6-(cyclopropylamino)-1,3,5-triazin-2-yl]amino]-2-methylpropanenitrile
Propamocarb hydrochloride
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C9 H20 N2 O2 . Cl H
Molecular Weight
224.73
Accurate Mass
224.1292
SMILES
Cl.CCCOC(=O)NCCCN(C)C
InChI
InChI=1S/C9H20N2O2.ClH/c1-4-8-13-9(12)10-6-5-7-11(2)3;/h4-8H2,1-3H3,(H,10,12);1H
IUPAC
propyl N-[3-(dimethylamino)propyl]carbamate;hydrochloride
Pyrazolynate
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C19 H16 Cl2 N2 O4 S
Molecular Weight
439.31
Accurate Mass
438.0208
SMILES
Cc1ccc(cc1)S(=O)(=O)Oc2c(C(=O)c3ccc(Cl)cc3Cl)c(C)nn2C
InChI
InChI=1S/C19H16Cl2N2O4S/c1-11-4-7-14(8-5-11)28(25,26)27-19-17(12(2)22-23(19)3)18(24)15-9-6-13(20)10-16(15)21/h4-10H,1-3H3
IUPAC
[4-(2,4-dichlorobenzoyl)-2,5-dimethylpyrazol-3-yl] 4-methylbenzenesulfonate
Pyrazosulfuron-ethyl
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C14 H18 N6 O7 S
Molecular Weight
414.39
Accurate Mass
414.0958
SMILES
CCOC(=O)c1cnn(C)c1S(=O)(=O)NC(=O)Nc2nc(OC)cc(OC)n2
InChI
InChI=1S/C14H18N6O7S/c1-5-27-12(21)8-7-15-20(2)11(8)28(23,24)19-14(22)18-13-16-9(25-3)6-10(17-13)26-4/h6-7H,5H2,1-4H3,(H2,16,17,18,19,22)
IUPAC
ethyl 5-[(4,6-dimethoxypyrimidin-2-yl)carbamoylsulfamoyl]-1-methylpyrazole-4-carboxylate
Pyributicarb
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C18 H22 N2 O2 S
Molecular Weight
330.44
Accurate Mass
330.1402
SMILES
COc1cccc(n1)N(C)C(=S)Oc2cccc(c2)C(C)(C)C
InChI
InChI=1S/C18H22N2O2S/c1-18(2,3)13-8-6-9-14(12-13)22-17(23)20(4)15-10-7-11-16(19-15)21-5/h6-12H,1-5H3
IUPAC
O-(3-tert-butylphenyl) N-(6-methoxypyridin-2-yl)-N-methylcarbamothioate
Pyroxsulam
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C14 H13 F3 N6 O5 S
Molecular Weight
434.35
Accurate Mass
434.062
SMILES
COc1cc(OC)n2nc(NS(=O)(=O)c3c(OC)nccc3C(F)(F)F)nc2n1
InChI
InChI=1S/C14H13F3N6O5S/c1-26-8-6-9(27-2)23-13(19-8)20-12(21-23)22-29(24,25)10-7(14(15,16)17)4-5-18-11(10)28-3/h4-6H,1-3H3,(H,21,22)
IUPAC
N-(5,7-dimethoxy-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-2-methoxy-4-(trifluoromethyl)pyridine-3-sulfonamide
Quinine Sulfate
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
2[C20 H24 N2 O2] . H2SO4 . 4[H2O]
Molecular Weight
818.973
Accurate Mass
818.377
SMILES
O.O.O.O.COc1ccc2nccc([C@@H](O)[C@@H]3C[C@@H]4CCN3C[C@@H]4C=C)c2c1.COc5ccc6nccc([C@@H](O)[C@@H]7C[C@@H]8CCN7C[C@@H]8C=C)c6c5.OS(=O)(=O)O
InChI
InChI=1S/2C20H24N2O2.H2O4S.4H2O/c2*1-3-13-12-22-9-7-14(13)10-19(22)20(23)16-6-8-21-18-5-4-15(24-2)11-17(16)18;1-5(2,3)4;;;;/h2*3-6,8,11,13-14,19-20,23H,1,7,9-10,12H2,2H3;(H2,1,2,3,4);4*1H2/t2*13-,14-,19-,20+;;;;;/m00...../s1
IUPAC
(R)-[(2S,4S,5R)-5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl]-(6-methoxyquinolin-4-yl)methanol;sulfuric acid;tetrahydrate
Quinoclamine
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C10 H6 Cl N O2
Molecular Weight
207.61
Accurate Mass
207.0087
SMILES
NC1=C(Cl)C(=O)c2ccccc2C1=O
InChI
InChI=1S/C10H6ClNO2/c11-7-8(12)10(14)6-4-2-1-3-5(6)9(7)13/h1-4H,12H2
IUPAC
2-amino-3-chloronaphthalene-1,4-dione
Quinoline
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C9 H7 N
Molecular Weight
129.16
Accurate Mass
129.0578
SMILES
c1ccc2ncccc2c1
InChI
InChI=1S/C9H7N/c1-2-6-9-8(4-1)5-3-7-10-9/h1-7H
IUPAC
quinoline
Quizalofop free acid
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C17 H13 Cl N2 O4
Molecular Weight
344.75
Accurate Mass
344.0564
SMILES
CC(Oc1ccc(Oc2cnc3cc(Cl)ccc3n2)cc1)C(=O)O
InChI
InChI=1S/C17H13ClN2O4/c1-10(17(21)22)23-12-3-5-13(6-4-12)24-16-9-19-15-8-11(18)2-7-14(15)20-16/h2-10H,1H3,(H,21,22)
IUPAC
2-[4-(6-chloroquinoxalin-2-yl)oxyphenoxy]propanoic acid
Saflufenacil
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C17 H17 Cl F4 N4 O5 S
Molecular Weight
500.85
Accurate Mass
500.0544
SMILES
CC(C)N(C)S(=O)(=O)NC(=O)c1cc(N2C(=O)C=C(N(C)C2=O)C(F)(F)F)c(F)cc1Cl
InChI
InChI=1S/C17H17ClF4N4O5S/c1-8(2)25(4)32(30,31)23-15(28)9-5-12(11(19)6-10(9)18)26-14(27)7-13(17(20,21)22)24(3)16(26)29/h5-8H,1-4H3,(H,23,28)
IUPAC
2-chloro-4-fluoro-5-[3-methyl-2,6-dioxo-4-(trifluoromethyl)pyrimidin-1-yl]-N-[methyl(propan-2-yl)sulfamoyl]benzamide
Sebuthylazine-desethyl
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C7 H12 Cl N5
Molecular Weight
201.66
Accurate Mass
201.0781
SMILES
CCC(C)Nc1nc(N)nc(Cl)n1
InChI
InChI=1S/C7H12ClN5/c1-3-4(2)10-7-12-5(8)11-6(9)13-7/h4H,3H2,1-2H3,(H3,9,10,11,12,13)
IUPAC
2-N-butan-2-yl-6-chloro-1,3,5-triazine-2,4-diamine
Sethoxydim
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C17 H29 N O3 S
Molecular Weight
327.48
Accurate Mass
327.1868
SMILES
CCCC(=NOCC)C1=C(O)CC(CC(C)SCC)CC1=O
InChI
InChI=1S/C17H29NO3S/c1-5-8-14(18-21-6-2)17-15(19)10-13(11-16(17)20)9-12(4)22-7-3/h12-13,19H,5-11H2,1-4H3
IUPAC
2-(N-ethoxy-C-propylcarbonimidoyl)-5-(2-ethylsulfanylpropyl)-3-hydroxycyclohex-2-en-1-one
Simeconazole
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C14 H20 F N3 O Si
Molecular Weight
293.41
Accurate Mass
293.136
SMILES
C[Si](C)(C)CC(O)(Cn1cncn1)c2ccc(F)cc2
InChI
InChI=1S/C14H20FN3OSi/c1-20(2,3)9-14(19,8-18-11-16-10-17-18)12-4-6-13(15)7-5-12/h4-7,10-11,19H,8-9H2,1-3H3
IUPAC
2-(4-fluorophenyl)-1-(1,2,4-triazol-1-yl)-3-trimethylsilylpropan-2-ol
Sulcotrione
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C14 H13 Cl O5 S
Molecular Weight
328.77
Accurate Mass
328.0172
SMILES
CS(=O)(=O)c1ccc(C(=O)C2C(=O)CCCC2=O)c(Cl)c1
InChI
InChI=1S/C14H13ClO5S/c1-21(19,20)8-5-6-9(10(15)7-8)14(18)13-11(16)3-2-4-12(13)17/h5-7,13H,2-4H2,1H3
IUPAC
2-(2-chloro-4-methylsulfonylbenzoyl)cyclohexane-1,3-dione
Sulfluramid
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C10 H6 F17 N O2 S
Molecular Weight
527.20
Accurate Mass
526.9848
SMILES
CCNS(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
InChI
InChI=1S/C10H6F17NO2S/c1-2-28-31(29,30)10(26,27)8(21,22)6(17,18)4(13,14)3(11,12)5(15,16)7(19,20)9(23,24)25/h28H,2H2,1H3
IUPAC
N-ethyl-1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctane-1-sulfonamide
Sulfometuron-methyl
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C15 H16 N4 O5 S
Molecular Weight
364.38
Accurate Mass
364.0841
SMILES
COC(=O)c1ccccc1S(=O)(=O)NC(=O)Nc2nc(C)cc(C)n2
InChI
InChI=1S/C15H16N4O5S/c1-9-8-10(2)17-14(16-9)18-15(21)19-25(22,23)12-7-5-4-6-11(12)13(20)24-3/h4-8H,1-3H3,(H2,16,17,18,19,21)
IUPAC
methyl 2-[(4,6-dimethylpyrimidin-2-yl)carbamoylsulfamoyl]benzoate
Tebupirimfos
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C13 H23 N2 O3 P S
Molecular Weight
318.37
Accurate Mass
318.1167
SMILES
CCOP(=S)(OC(C)C)Oc1cnc(nc1)C(C)(C)C
InChI
InChI=1S/C13H23N2O3PS/c1-7-16-19(20,17-10(2)3)18-11-8-14-12(15-9-11)13(4,5)6/h8-10H,7H2,1-6H3
IUPAC
(2-tert-butylpyrimidin-5-yl)oxy-ethoxy-propan-2-yloxy-sulfanylidene-?5-phosphane
Tembotrione
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C17 H16 Cl F3 O6 S
Molecular Weight
440.82
Accurate Mass
440.0308
SMILES
CS(=O)(=O)c1ccc(C(=O)C2C(=O)CCCC2=O)c(Cl)c1COCC(F)(F)F
InChI
InChI=1S/C17H16ClF3O6S/c1-28(25,26)13-6-5-9(15(18)10(13)7-27-8-17(19,20)21)16(24)14-11(22)3-2-4-12(14)23/h5-6,14H,2-4,7-8H2,1H3
IUPAC
2-[2-chloro-4-methylsulfonyl-3-(2,2,2-trifluoroethoxymethyl)benzoyl]cyclohexane-1,3-dione
Thifluzamide
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C13 H6 Br2 F6 N2 O2 S
Molecular Weight
528.06
Accurate Mass
525.8421
SMILES
Cc1nc(c(s1)C(=O)Nc2c(Br)cc(OC(F)(F)F)cc2Br)C(F)(F)F
InChI
InChI=1S/C13H6Br2F6N2O2S/c1-4-22-10(12(16,17)18)9(26-4)11(24)23-8-6(14)2-5(3-7(8)15)25-13(19,20)21/h2-3H,1H3,(H,23,24)
IUPAC
N-[2,6-dibromo-4-(trifluoromethoxy)phenyl]-2-methyl-4-(trifluoromethyl)-1,3-thiazole-5-carboxamide
Tiadinil
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C11 H10 Cl N3 O S
Molecular Weight
267.73
Accurate Mass
267.0233
SMILES
Cc1ccc(NC(=O)c2snnc2C)cc1Cl
InChI
InChI=1S/C11H10ClN3OS/c1-6-3-4-8(5-9(6)12)13-11(16)10-7(2)14-15-17-10/h3-5H,1-2H3,(H,13,16)
IUPAC
N-(3-chloro-4-methylphenyl)-4-methylthiadiazole-5-carboxamide
Topramezone
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C16 H17 N3 O5 S
Molecular Weight
363.39
Accurate Mass
363.0889
SMILES
Cc1c(ccc(c1C2=NOCC2)S(=O)(=O)C)C(=O)c3cnn(C)c3O
InChI
InChI=1S/C16H17N3O5S/c1-9-10(15(20)11-8-17-19(2)16(11)21)4-5-13(25(3,22)23)14(9)12-6-7-24-18-12/h4-5,8,21H,6-7H2,1-3H3
IUPAC
[3-(4,5-dihydro-1,2-oxazol-3-yl)-2-methyl-4-methylsulfonylphenyl]-(5-hydroxy-1-methylpyrazol-4-yl)methanone
Trifloxysulfuron Sodium Salt
CAS Number
Alternate CAS Number
Unlabelled CAS Number
-
Molecular Formula
C14 H13 F3 N5 O6 S . Na
Molecular Weight
459.33
Accurate Mass
459.0436
SMILES
[Na+].COc1cc(OC)nc(NC(=O)[N-]S(=O)(=O)c2ncccc2OCC(F)(F)F)n1
InChI
InChI=1S/C14H14F3N5O6S.Na/c1-26-9-6-10(27-2)20-12(19-9)21-13(23)22-29(24,25)11-8(4-3-5-18-11)28-7-14(15,16)17;/h3-6H,7H2,1-2H3,(H2,19,20,21,22,23);/q;+1/p-1
IUPAC
sodium;(4,6-dimethoxypyrimidin-2-yl)carbamoyl-[3-(2,2,2-trifluoroethoxy)pyridin-2-yl]sulfonylazanide
Triflusulfuron-methyl
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C17 H19 F3 N6 O6 S
Molecular Weight
492.43
Accurate Mass
492.1039
SMILES
COC(=O)c1cccc(C)c1S(=O)(=O)NC(=O)Nc2nc(OCC(F)(F)F)nc(n2)N(C)C
InChI
InChI=1S/C17H19F3N6O6S/c1-9-6-5-7-10(12(27)31-4)11(9)33(29,30)25-15(28)22-13-21-14(26(2)3)24-16(23-13)32-8-17(18,19)20/h5-7H,8H2,1-4H3,(H2,21,22,23,24,25,28)
IUPAC
methyl 2-[[4-(dimethylamino)-6-(2,2,2-trifluoroethoxy)-1,3,5-triazin-2-yl]carbamoylsulfamoyl]-3-methylbenzoate
Product Data
Storage Temperature
-18°C
Shipping Temperature
+20°C
Country of Origin
UNITED STATES
Product Format
Mixture
Solvent
Acetonitrile
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