3-(4-chlorophenyl)sulfanyl-4-oxidanylidene-cyclohexane-1-carboxylic acid

Systemtic Name: 3-(4-chlorophenyl)sulfanyl-4-oxidanylidene-cyclohexane-1-carboxylic acid Openeye Name: 3-(4-chlorophenyl)sulfanyl-4-oxo-cyclohexanecarboxylic acid CAS Name: 3-[(4-chlorophenyl)thio]-4-oxo-1-cyclohexanecarboxylic acid IUPAC Name: 3-(4-chlorophenyl)sulfanyl-4-oxocyclohexane-1-carboxylic acid Traditional Name: 3-[(4-chlorophenyl)thio]-4-keto-cyclohexanecarboxylic acid Formula: C13H13ClO3S MolecularWeight: 284.75852

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H13ClO3S/c14-9-2-4-10(5-3-9)18-12-7-8(13(16)17)1-6-11(12)15/h2-5,8,12H,1,6-7H2,(H,16,17)