2-oxidanylidene-3-(4-sulfooxyphenyl)propanoic acid

Systemtic Name: 2-oxidanylidene-3-(4-sulfooxyphenyl)propanoic acid Openeye Name: 2-oxo-3-(4-sulfooxyphenyl)propanoic acid CAS Name: 2-oxo-3-(4-sulfooxyphenyl)propanoic acid IUPAC Name: 2-oxo-3-(4-sulfooxyphenyl)propanoic acid Traditional Name: 2-keto-3-(4-sulfoxyphenyl)propionic acid Formula: C9H8O7S MolecularWeight: 260.22062

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CC(=O)C(=O)O)OS(=O)(=O)O

Isomeric SMILES

C1=CC(=CC=C1CC(=O)C(=O)O)OS(=O)(=O)O

InChI

InChI=1S/C9H8O7S/c10-8(9(11)12)5-6-1-3-7(4-2-6)16-17(13,14)15/h1-4H,5H2,(H,11,12)(H,13,14,15)