3-(1-oxidanyl-1-oxidanylidene-5-sulfanyl-pentan-2-yl)sulfanylbenzoic acid

Systemtic Name: 3-(1-oxidanyl-1-oxidanylidene-5-sulfanyl-pentan-2-yl)sulfanylbenzoic acid Openeye Name: 3-(1-carboxy-4-sulfanyl-butyl)sulfanylbenzoic acid CAS Name: 3-[(1-hydroxy-5-mercapto-1-oxopentan-2-yl)thio]benzoic acid IUPAC Name: 3-(1-hydroxy-1-oxo-5-sulfanylpentan-2-yl)sulfanylbenzoic acid Traditional Name: 3-[(1-carboxy-4-mercapto-butyl)thio]benzoic acid Formula: C12H14O4S2 MolecularWeight: 286.36716

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)SC(CCCS)C(=O)O)C(=O)O

Isomeric SMILES

C1=CC(=CC(=C1)SC(CCCS)C(=O)O)C(=O)O

InChI

InChI=1S/C12H14O4S2/c13-11(14)8-3-1-4-9(7-8)18-10(12(15)16)5-2-6-17/h1,3-4,7,10,17H,2,5-6H2,(H,13,14)(H,15,16)