1-oxidanyl-2-oxidanylidene-2-[4-[4-(2-oxidanyl-2-sulfo-ethanoyl)phenyl]sulfanylphenyl]ethanesulfonic acid

Systemtic Name: 1-oxidanyl-2-oxidanylidene-2-[4-[4-(2-oxidanyl-2-sulfo-ethanoyl)phenyl]sulfanylphenyl]ethanesulfonic acid Openeye Name: 1-hydroxy-2-[4-[4-(2-hydroxy-2-sulfo-acetyl)phenyl]sulfanylphenyl]-2-oxo-ethanesulfonic acid CAS Name: 1-hydroxy-2-[4-[[4-(2-hydroxy-1-oxo-2-sulfoethyl)phenyl]thio]phenyl]-2-oxoethanesulfonic acid IUPAC Name: 1-hydroxy-2-[4-[4-(2-hydroxy-2-sulfoacetyl)phenyl]sulfanylphenyl]-2-oxoethanesulfonic acid Traditional Name: 1-hydroxy-2-[4-[[4-(2-hydroxy-2-sulfo-acetyl)phenyl]thio]phenyl]-2-keto-ethanesulfonic acid Formula: C16H14O10S3 MolecularWeight: 462.47136

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(=O)C(O)S(=O)(=O)O)SC2=CC=C(C=C2)C(=O)C(O)S(=O)(=O)O

Isomeric SMILES

C1=CC(=CC=C1C(=O)C(O)S(=O)(=O)O)SC2=CC=C(C=C2)C(=O)C(O)S(=O)(=O)O

InChI

InChI=1S/C16H14O10S3/c17-13(15(19)28(21,22)23)9-1-5-11(6-2-9)27-12-7-3-10(4-8-12)14(18)16(20)29(24,25)26/h1-8,15-16,19-20H,(H,21,22,23)(H,24,25,26)