2-(carboxymethylsulfanyl)-4-(4-chlorophenyl)-4-oxidanylidene-butanoic acid

Systemtic Name: 2-(carboxymethylsulfanyl)-4-(4-chlorophenyl)-4-oxidanylidene-butanoic acid Openeye Name: 2-(carboxymethylsulfanyl)-4-(4-chlorophenyl)-4-oxo-butanoic acid CAS Name: 2-(carboxymethylthio)-4-(4-chlorophenyl)-4-oxobutanoic acid IUPAC Name: 2-(carboxymethylsulfanyl)-4-(4-chlorophenyl)-4-oxobutanoic acid Traditional Name: 2-(carboxymethylthio)-4-(4-chlorophenyl)-4-keto-butyric acid Formula: C12H11ClO5S MolecularWeight: 302.73074

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(=O)CC(C(=O)O)SCC(=O)O)Cl

Isomeric SMILES

C1=CC(=CC=C1C(=O)CC(C(=O)O)SCC(=O)O)Cl

InChI

InChI=1S/C12H11ClO5S/c13-8-3-1-7(2-4-8)9(14)5-10(12(17)18)19-6-11(15)16/h1-4,10H,5-6H2,(H,15,16)(H,17,18)