4-oxidanylidene-3-phenylsulfanyl-cyclohexane-1-carboxylic acid

Systemtic Name: 4-oxidanylidene-3-phenylsulfanyl-cyclohexane-1-carboxylic acid Openeye Name: 4-oxo-3-phenylsulfanyl-cyclohexanecarboxylic acid CAS Name: 4-oxo-3-(phenylthio)-1-cyclohexanecarboxylic acid IUPAC Name: 4-oxo-3-phenylsulfanylcyclohexane-1-carboxylic acid Traditional Name: 4-keto-3-(phenylthio)cyclohexanecarboxylic acid Formula: C13H14O3S MolecularWeight: 250.31346

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(=O)C(CC1C(=O)O)SC2=CC=CC=C2

Isomeric SMILES

C1CC(=O)C(CC1C(=O)O)SC2=CC=CC=C2

InChI

InChI=1S/C13H14O3S/c14-11-7-6-9(13(15)16)8-12(11)17-10-4-2-1-3-5-10/h1-5,9,12H,6-8H2,(H,15,16)