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

Systemtic Name: 4-(4-methylphenyl)-2-(4-methylphenyl)sulfanyl-4-oxidanylidene-butanoic acid Openeye Name: 4-oxo-4-(p-tolyl)-2-(p-tolylsulfanyl)butanoic acid CAS Name: 4-(4-methylphenyl)-2-[(4-methylphenyl)thio]-4-oxobutanoic acid IUPAC Name: 4-(4-methylphenyl)-2-(4-methylphenyl)sulfanyl-4-oxobutanoic acid Traditional Name: 4-keto-4-(p-tolyl)-2-(p-tolylthio)butyric acid Formula: C18H18O3S MolecularWeight: 314.39872

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)CC(C(=O)O)SC2=CC=C(C=C2)C

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)CC(C(=O)O)SC2=CC=C(C=C2)C

InChI

InChI=1S/C18H18O3S/c1-12-3-7-14(8-4-12)16(19)11-17(18(20)21)22-15-9-5-13(2)6-10-15/h3-10,17H,11H2,1-2H3,(H,20,21)