4-(1-oxidanyl-1-oxidanylidene-5-sulfanyl-pentan-2-yl)sulfanylbenzoic acid

Systemtic Name: 4-(1-oxidanyl-1-oxidanylidene-5-sulfanyl-pentan-2-yl)sulfanylbenzoic acid Openeye Name: 4-(1-carboxy-4-sulfanyl-butyl)sulfanylbenzoic acid CAS Name: 4-[(1-hydroxy-5-mercapto-1-oxopentan-2-yl)thio]benzoic acid IUPAC Name: 4-(1-hydroxy-1-oxo-5-sulfanylpentan-2-yl)sulfanylbenzoic acid Traditional Name: 4-[(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=C1C(=O)O)SC(CCCS)C(=O)O

Isomeric SMILES

C1=CC(=CC=C1C(=O)O)SC(CCCS)C(=O)O

InChI

InChI=1S/C12H14O4S2/c13-11(14)8-3-5-9(6-4-8)18-10(12(15)16)2-1-7-17/h3-6,10,17H,1-2,7H2,(H,13,14)(H,15,16)