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

Systemtic Name: 4-[3,5-bis(chloranyl)-4-methyl-phenyl]-2-methylsulfanyl-4-oxidanylidene-butanoic acid Openeye Name: 4-(3,5-dichloro-4-methyl-phenyl)-2-methylsulfanyl-4-oxo-butanoic acid CAS Name: 4-(3,5-dichloro-4-methylphenyl)-2-(methylthio)-4-oxobutanoic acid IUPAC Name: 4-(3,5-dichloro-4-methylphenyl)-2-methylsulfanyl-4-oxobutanoic acid Traditional Name: 4-(3,5-dichloro-4-methyl-phenyl)-4-keto-2-(methylthio)butyric acid Formula: C12H12Cl2O3S MolecularWeight: 307.19288

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H12Cl2O3S/c1-6-8(13)3-7(4-9(6)14)10(15)5-11(18-2)12(16)17/h3-4,11H,5H2,1-2H3,(H,16,17)