4-(3-chlorophenyl)-2-ethanoylsulfanyl-4-oxidanylidene-butanoic acid

Systemtic Name: 4-(3-chlorophenyl)-2-ethanoylsulfanyl-4-oxidanylidene-butanoic acid Openeye Name: 2-acetylsulfanyl-4-(3-chlorophenyl)-4-oxo-butanoic acid CAS Name: 2-(acetylthio)-4-(3-chlorophenyl)-4-oxobutanoic acid IUPAC Name: 2-acetylsulfanyl-4-(3-chlorophenyl)-4-oxobutanoic acid Traditional Name: 2-(acetylthio)-4-(3-chlorophenyl)-4-keto-butyric acid Formula: C12H11ClO4S MolecularWeight: 286.73134

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H11ClO4S/c1-7(14)18-11(12(16)17)6-10(15)8-3-2-4-9(13)5-8/h2-5,11H,6H2,1H3,(H,16,17)