Analyte Name

1,5-Bis(1-(2,5-disulfophenyl)-3-carboxymethyl-5-hydroxy-1H-pyrazol-4-yl)-Penta-1,3-Diene Tetrapotassium Salt

CAS Number

155600-38-7

Molecular Formula

C27H18K4N4O18S4

Molecular Weight

971.08

Accurate Mass

969.8

SMILES

O=S(C1=C(N2N=C(C(OC)=O)/C(C2=O)=C/C=C/C=C/C3=C(O)N(C4=CC(S(=O)(O[K])=O)=CC=C4S(=O)(O[K])=O)N=C3C(OC)=O)C=C(S(=O)(O[K])=O)C=C1)(O[K])=O

InChI

InChI=1S/C27H22N4O18S4.4K/c1-48-26(34)22-16(24(32)30(28-22)18-12-14(50(36,37)38)8-10-20(18)52(42,43)44)6-4-3-5-7-17-23(27(35)49-2)29-31(25(17)33)19-13-15(51(39,40)41)9-11-21(19)53(45,46)47;;;;/h3-13,32H,1-2H3,(H,36,37,38)(H,39,40,41)(H,42,43,44)(H,45,46,47);;;;/q;4*+1/p-4/b5-3+,6-4+,17-7-;;;;

IUPAC

potassium 2-(4-((1E,3E,5Z)-5-(1-(2,5-disulfonatophenyl)-3-(methoxycarbonyl)-5-oxo-1,5-dihydro-4H-pyrazol-4-ylidene)penta-1,3-dien-1-yl)-5-hydroxy-3-(methoxycarbonyl)-1H-pyrazol-1-yl)benzene-1,4-disulfonate

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat