3-chloranyl-2-(2-chloroethylsulfanyl)-4-oxidanylidene-4-phenyl-butanoic acid

Systemtic Name: 3-chloranyl-2-(2-chloroethylsulfanyl)-4-oxidanylidene-4-phenyl-butanoic acid Openeye Name: 3-chloro-2-(2-chloroethylsulfanyl)-4-oxo-4-phenyl-butanoic acid CAS Name: 3-chloro-2-(2-chloroethylthio)-4-oxo-4-phenylbutanoic acid IUPAC Name: 3-chloro-2-(2-chloroethylsulfanyl)-4-oxo-4-phenylbutanoic acid Traditional Name: 3-chloro-2-(2-chloroethylthio)-4-keto-4-phenyl-butyric acid Formula: C12H12Cl2O3S MolecularWeight: 307.19288

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H12Cl2O3S/c13-6-7-18-11(12(16)17)9(14)10(15)8-4-2-1-3-5-8/h1-5,9,11H,6-7H2,(H,16,17)