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

Systemtic Name: 1-oxidanyl-2-oxidanylidene-2-[4-[[4-(2-oxidanyl-2-sulfo-ethanoyl)phenyl]methyl]phenyl]ethanesulfonic acid Openeye Name: 1-hydroxy-2-[4-[[4-(2-hydroxy-2-sulfo-acetyl)phenyl]methyl]phenyl]-2-oxo-ethanesulfonic acid CAS Name: 1-hydroxy-2-[4-[[4-(2-hydroxy-1-oxo-2-sulfoethyl)phenyl]methyl]phenyl]-2-oxoethanesulfonic acid IUPAC Name: 1-hydroxy-2-[4-[[4-(2-hydroxy-2-sulfoacetyl)phenyl]methyl]phenyl]-2-oxoethanesulfonic acid Traditional Name: 1-hydroxy-2-[4-[4-(2-hydroxy-2-sulfo-acetyl)benzyl]phenyl]-2-keto-ethanesulfonic acid Formula: C17H16O10S2 MolecularWeight: 444.43294

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CC2=CC=C(C=C2)C(=O)C(O)S(=O)(=O)O)C(=O)C(O)S(=O)(=O)O

Isomeric SMILES

C1=CC(=CC=C1CC2=CC=C(C=C2)C(=O)C(O)S(=O)(=O)O)C(=O)C(O)S(=O)(=O)O

InChI

InChI=1S/C17H16O10S2/c18-14(16(20)28(22,23)24)12-5-1-10(2-6-12)9-11-3-7-13(8-4-11)15(19)17(21)29(25,26)27/h1-8,16-17,20-21H,9H2,(H,22,23,24)(H,25,26,27)