Analyte Name

1-Benzoyl-4-(2,3-dichlorophenyl)piperazine

CAS Number

902456-03-5

Molecular Formula

C21 H26 O9 S

Molecular Weight

454.491

Accurate Mass

454.13

SMILES

CC(=O)OCC1O[C@@H](Sc2ccc(C)cc2)C(OC(=O)C)C(OC(=O)C)[C@H]1OC(=O)C

InChI

InChI=1S/C21H26O9S/c1-11-6-8-16(9-7-11)31-21-20(29-15(5)25)19(28-14(4)24)18(27-13(3)23)17(30-21)10-26-12(2)22/h6-9,17-21H,10H2,1-5H3/t17?,18-,19?,20?,21-/m0/s1

IUPAC

[(3S,6S)-3,4,5-triacetyloxy-6-(4-methylphenyl)sulfanyloxan-2-yl]methyl acetate

Storage Temperature

-20°C

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat