2-(4-methylphenyl)sulfanyl-4-oxidanylidene-4-phenyl-butanoic acid

Systemtic Name: 2-(4-methylphenyl)sulfanyl-4-oxidanylidene-4-phenyl-butanoic acid Openeye Name: 4-oxo-4-phenyl-2-(p-tolylsulfanyl)butanoic acid CAS Name: 2-[(4-methylphenyl)thio]-4-oxo-4-phenylbutanoic acid IUPAC Name: 2-(4-methylphenyl)sulfanyl-4-oxo-4-phenylbutanoic acid Traditional Name: 4-keto-4-phenyl-2-(p-tolylthio)butyric acid Formula: C17H16O3S MolecularWeight: 300.37214

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SC(CC(=O)C2=CC=CC=C2)C(=O)O

Isomeric SMILES

CC1=CC=C(C=C1)SC(CC(=O)C2=CC=CC=C2)C(=O)O

InChI

InChI=1S/C17H16O3S/c1-12-7-9-14(10-8-12)21-16(17(19)20)11-15(18)13-5-3-2-4-6-13/h2-10,16H,11H2,1H3,(H,19,20)