2-(2-oxidanyl-2-oxidanylidene-1-sulfo-ethyl)benzoic acid

Systemtic Name: 2-(2-oxidanyl-2-oxidanylidene-1-sulfo-ethyl)benzoic acid Openeye Name: 2-(2-hydroxy-2-oxo-1-sulfo-ethyl)benzoic acid CAS Name: 2-(2-hydroxy-2-oxo-1-sulfoethyl)benzoic acid IUPAC Name: 2-(2-hydroxy-2-oxo-1-sulfoethyl)benzoic acid Traditional Name: 2-(2-hydroxy-2-keto-1-sulfo-ethyl)benzoic acid Formula: C9H8O7S MolecularWeight: 260.22062

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C9H8O7S/c10-8(11)6-4-2-1-3-5(6)7(9(12)13)17(14,15)16/h1-4,7H,(H,10,11)(H,12,13)(H,14,15,16)