Analyte Name

Bisphenol S Disulfate

CAS Number

847696-49-5

Molecular Formula

C12 H10 O10 S3

Molecular Weight

410.397

Accurate Mass

409.944

SMILES

OS(=O)(=O)Oc1ccc(cc1)S(=O)(=O)c2ccc(OS(=O)(=O)O)cc2

InChI

InChI=1S/C12H10O10S3/c13-23(14,11-5-1-9(2-6-11)21-24(15,16)17)12-7-3-10(4-8-12)22-25(18,19)20/h1-8H,(H,15,16,17)(H,18,19,20)

IUPAC

[4-(4-sulfooxyphenyl)sulfonylphenyl] hydrogen sulfate

Storage Temperature

-20°C

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat