2-[oxidanyl-bis(4-sulfonatooxyphenyl)methyl]benzoate

Systemtic Name: 2-[oxidanyl-bis(4-sulfonatooxyphenyl)methyl]benzoate Openeye Name: 2-[hydroxy-bis(4-sulfonatooxyphenyl)methyl]benzoate CAS Name: 2-[hydroxy-bis(4-sulfonatooxyphenyl)methyl]benzoate IUPAC Name: 2-[hydroxy-bis(4-sulfonatooxyphenyl)methyl]benzoate Traditional Name: 2-[hydroxy-bis(4-sulfatophenyl)methyl]benzoate Formula: C20H13O11S2-3 MolecularWeight: 493.44062

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C(=O)[O-])C(C2=CC=C(C=C2)OS(=O)(=O)[O-])(C3=CC=C(C=C3)OS(=O)(=O)[O-])O

Isomeric SMILES

C1=CC=C(C(=C1)C(=O)[O-])C(C2=CC=C(C=C2)OS(=O)(=O)[O-])(C3=CC=C(C=C3)OS(=O)(=O)[O-])O

InChI

InChI=1S/C20H16O11S2/c21-19(22)17-3-1-2-4-18(17)20(23,13-5-9-15(10-6-13)30-32(24,25)26)14-7-11-16(12-8-14)31-33(27,28)29/h1-12,23H,(H,21,22)(H,24,25,26)(H,27,28,29)/p-3