2-cyclohexylsulfanyl-4-(4-methylphenyl)-4-oxidanylidene-butanoic acid

Systemtic Name: 2-cyclohexylsulfanyl-4-(4-methylphenyl)-4-oxidanylidene-butanoic acid Openeye Name: 2-cyclohexylsulfanyl-4-oxo-4-(p-tolyl)butanoic acid CAS Name: 2-(cyclohexylthio)-4-(4-methylphenyl)-4-oxobutanoic acid IUPAC Name: 2-cyclohexylsulfanyl-4-(4-methylphenyl)-4-oxobutanoic acid Traditional Name: 2-(cyclohexylthio)-4-keto-4-(p-tolyl)butyric acid Formula: C17H22O3S MolecularWeight: 306.41978

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)CC(C(=O)O)SC2CCCCC2

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)CC(C(=O)O)SC2CCCCC2

InChI

InChI=1S/C17H22O3S/c1-12-7-9-13(10-8-12)15(18)11-16(17(19)20)21-14-5-3-2-4-6-14/h7-10,14,16H,2-6,11H2,1H3,(H,19,20)