2-(2-oxidanyl-6-oxidanylidene-cyclohexen-1-yl)sulfanylbenzoic acid

Systemtic Name: 2-(2-oxidanyl-6-oxidanylidene-cyclohexen-1-yl)sulfanylbenzoic acid Openeye Name: 2-(2-hydroxy-6-oxo-cyclohexen-1-yl)sulfanylbenzoic acid CAS Name: 2-[(2-hydroxy-6-oxo-1-cyclohexenyl)thio]benzoic acid IUPAC Name: 2-(2-hydroxy-6-oxocyclohexen-1-yl)sulfanylbenzoic acid Traditional Name: 2-[(2-hydroxy-6-keto-cyclohexen-1-yl)thio]benzoic acid Formula: C13H12O4S MolecularWeight: 264.29698

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(=C(C(=O)C1)SC2=CC=CC=C2C(=O)O)O

Isomeric SMILES

C1CC(=C(C(=O)C1)SC2=CC=CC=C2C(=O)O)O

InChI

InChI=1S/C13H12O4S/c14-9-5-3-6-10(15)12(9)18-11-7-2-1-4-8(11)13(16)17/h1-2,4,7,14H,3,5-6H2,(H,16,17)