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

Systemtic Name: 4-[3,5-bis(chloranyl)-4-methyl-phenyl]-4-oxidanylidene-2-propan-2-ylsulfanyl-butanoic acid Openeye Name: 4-(3,5-dichloro-4-methyl-phenyl)-2-isopropylsulfanyl-4-oxo-butanoic acid CAS Name: 4-(3,5-dichloro-4-methylphenyl)-4-oxo-2-(propan-2-ylthio)butanoic acid IUPAC Name: 4-(3,5-dichloro-4-methylphenyl)-4-oxo-2-propan-2-ylsulfanylbutanoic acid Traditional Name: 4-(3,5-dichloro-4-methyl-phenyl)-2-(isopropylthio)-4-keto-butyric acid Formula: C14H16Cl2O3S MolecularWeight: 335.24604

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1Cl)C(=O)CC(C(=O)O)SC(C)C)Cl

Isomeric SMILES

CC1=C(C=C(C=C1Cl)C(=O)CC(C(=O)O)SC(C)C)Cl

InChI

InChI=1S/C14H16Cl2O3S/c1-7(2)20-13(14(18)19)6-12(17)9-4-10(15)8(3)11(16)5-9/h4-5,7,13H,6H2,1-3H3,(H,18,19)