2-[3-(3-chlorophenyl)sulfanyl-4-oxidanylidene-cyclohexyl]ethanoic acid

Systemtic Name: 2-[3-(3-chlorophenyl)sulfanyl-4-oxidanylidene-cyclohexyl]ethanoic acid Openeye Name: 2-[3-(3-chlorophenyl)sulfanyl-4-oxo-cyclohexyl]acetic acid CAS Name: 2-[3-[(3-chlorophenyl)thio]-4-oxocyclohexyl]acetic acid IUPAC Name: 2-[3-(3-chlorophenyl)sulfanyl-4-oxocyclohexyl]acetic acid Traditional Name: 2-[3-[(3-chlorophenyl)thio]-4-keto-cyclohexyl]acetic acid Formula: C14H15ClO3S MolecularWeight: 298.7851

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(=O)C(CC1CC(=O)O)SC2=CC(=CC=C2)Cl

Isomeric SMILES

C1CC(=O)C(CC1CC(=O)O)SC2=CC(=CC=C2)Cl

InChI

InChI=1S/C14H15ClO3S/c15-10-2-1-3-11(8-10)19-13-6-9(7-14(17)18)4-5-12(13)16/h1-3,8-9,13H,4-7H2,(H,17,18)