4-(2,4-dichlorophenyl)-2-ethanoylsulfanyl-4-oxidanylidene-butanoic acid

Systemtic Name: 4-(2,4-dichlorophenyl)-2-ethanoylsulfanyl-4-oxidanylidene-butanoic acid Openeye Name: 2-acetylsulfanyl-4-(2,4-dichlorophenyl)-4-oxo-butanoic acid CAS Name: 2-(acetylthio)-4-(2,4-dichlorophenyl)-4-oxobutanoic acid IUPAC Name: 2-acetylsulfanyl-4-(2,4-dichlorophenyl)-4-oxobutanoic acid Traditional Name: 2-(acetylthio)-4-(2,4-dichlorophenyl)-4-keto-butyric acid Formula: C12H10Cl2O4S MolecularWeight: 321.1764

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H10Cl2O4S/c1-6(15)19-11(12(17)18)5-10(16)8-3-2-7(13)4-9(8)14/h2-4,11H,5H2,1H3,(H,17,18)