2-[(4-chlorophenyl)methylsulfanyl]-4-(4-methylphenyl)-4-oxidanylidene-butanoic acid

Systemtic Name: 2-[(4-chlorophenyl)methylsulfanyl]-4-(4-methylphenyl)-4-oxidanylidene-butanoic acid Openeye Name: 2-[(4-chlorophenyl)methylsulfanyl]-4-oxo-4-(p-tolyl)butanoic acid CAS Name: 2-[(4-chlorophenyl)methylthio]-4-(4-methylphenyl)-4-oxobutanoic acid IUPAC Name: 2-[(4-chlorophenyl)methylsulfanyl]-4-(4-methylphenyl)-4-oxobutanoic acid Traditional Name: 2-[(4-chlorobenzyl)thio]-4-keto-4-(p-tolyl)butyric acid Formula: C18H17ClO3S MolecularWeight: 348.84378

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)CC(C(=O)O)SCC2=CC=C(C=C2)Cl

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)CC(C(=O)O)SCC2=CC=C(C=C2)Cl

InChI

InChI=1S/C18H17ClO3S/c1-12-2-6-14(7-3-12)16(20)10-17(18(21)22)23-11-13-4-8-15(19)9-5-13/h2-9,17H,10-11H2,1H3,(H,21,22)