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

Systemtic Name: 4-[3,5-bis(chloranyl)-4-methyl-phenyl]-4-oxidanylidene-2-phenylsulfanyl-butanoic acid Openeye Name: 4-(3,5-dichloro-4-methyl-phenyl)-4-oxo-2-phenylsulfanyl-butanoic acid CAS Name: 4-(3,5-dichloro-4-methylphenyl)-4-oxo-2-(phenylthio)butanoic acid IUPAC Name: 4-(3,5-dichloro-4-methylphenyl)-4-oxo-2-phenylsulfanylbutanoic acid Traditional Name: 4-(3,5-dichloro-4-methyl-phenyl)-4-keto-2-(phenylthio)butyric acid Formula: C17H14Cl2O3S MolecularWeight: 369.26226

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1Cl)C(=O)CC(C(=O)O)SC2=CC=CC=C2)Cl

Isomeric SMILES

CC1=C(C=C(C=C1Cl)C(=O)CC(C(=O)O)SC2=CC=CC=C2)Cl

InChI

InChI=1S/C17H14Cl2O3S/c1-10-13(18)7-11(8-14(10)19)15(20)9-16(17(21)22)23-12-5-3-2-4-6-12/h2-8,16H,9H2,1H3,(H,21,22)