2-(4,4-dimethyl-2-oxidanyl-6-oxidanylidene-cyclohexen-1-yl)sulfanylbenzoic acid

Systemtic Name: 2-(4,4-dimethyl-2-oxidanyl-6-oxidanylidene-cyclohexen-1-yl)sulfanylbenzoic acid Openeye Name: 2-(2-hydroxy-4,4-dimethyl-6-oxo-cyclohexen-1-yl)sulfanylbenzoic acid CAS Name: 2-[(2-hydroxy-4,4-dimethyl-6-oxo-1-cyclohexenyl)thio]benzoic acid IUPAC Name: 2-(2-hydroxy-4,4-dimethyl-6-oxocyclohexen-1-yl)sulfanylbenzoic acid Traditional Name: 2-[(2-hydroxy-6-keto-4,4-dimethyl-cyclohexen-1-yl)thio]benzoic acid Formula: C15H16O4S MolecularWeight: 292.35014

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC(=C(C(=O)C1)SC2=CC=CC=C2C(=O)O)O)C

Isomeric SMILES

CC1(CC(=C(C(=O)C1)SC2=CC=CC=C2C(=O)O)O)C

InChI

InChI=1S/C15H16O4S/c1-15(2)7-10(16)13(11(17)8-15)20-12-6-4-3-5-9(12)14(18)19/h3-6,16H,7-8H2,1-2H3,(H,18,19)