4-(3,4-dichlorophenyl)-4-oxidanylidene-2-propan-2-ylsulfanyl-butanoic acid

Systemtic Name: 4-(3,4-dichlorophenyl)-4-oxidanylidene-2-propan-2-ylsulfanyl-butanoic acid Openeye Name: 4-(3,4-dichlorophenyl)-2-isopropylsulfanyl-4-oxo-butanoic acid CAS Name: 4-(3,4-dichlorophenyl)-4-oxo-2-(propan-2-ylthio)butanoic acid IUPAC Name: 4-(3,4-dichlorophenyl)-4-oxo-2-propan-2-ylsulfanylbutanoic acid Traditional Name: 4-(3,4-dichlorophenyl)-2-(isopropylthio)-4-keto-butyric acid Formula: C13H14Cl2O3S MolecularWeight: 321.21946

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)SC(CC(=O)C1=CC(=C(C=C1)Cl)Cl)C(=O)O

Isomeric SMILES

CC(C)SC(CC(=O)C1=CC(=C(C=C1)Cl)Cl)C(=O)O

InChI

InChI=1S/C13H14Cl2O3S/c1-7(2)19-12(13(17)18)6-11(16)8-3-4-9(14)10(15)5-8/h3-5,7,12H,6H2,1-2H3,(H,17,18)