4-[3,5-bis(chloranyl)-4-methyl-phenyl]-4-oxidanylidene-2-(phenylmethylsulfanyl)butanoic acid

Systemtic Name: 4-[3,5-bis(chloranyl)-4-methyl-phenyl]-4-oxidanylidene-2-(phenylmethylsulfanyl)butanoic acid Openeye Name: 2-benzylsulfanyl-4-(3,5-dichloro-4-methyl-phenyl)-4-oxo-butanoic acid CAS Name: 4-(3,5-dichloro-4-methylphenyl)-4-oxo-2-(phenylmethylthio)butanoic acid IUPAC Name: 2-benzylsulfanyl-4-(3,5-dichloro-4-methylphenyl)-4-oxobutanoic acid Traditional Name: 2-(benzylthio)-4-(3,5-dichloro-4-methyl-phenyl)-4-keto-butyric acid Formula: C18H16Cl2O3S MolecularWeight: 383.28884

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1Cl)C(=O)CC(C(=O)O)SCC2=CC=CC=C2)Cl

Isomeric SMILES

CC1=C(C=C(C=C1Cl)C(=O)CC(C(=O)O)SCC2=CC=CC=C2)Cl

InChI

InChI=1S/C18H16Cl2O3S/c1-11-14(19)7-13(8-15(11)20)16(21)9-17(18(22)23)24-10-12-5-3-2-4-6-12/h2-8,17H,9-10H2,1H3,(H,22,23)