3-(3-chlorophenyl)-2-ethanoyl-6-methylsulfanyl-4-oxidanylidene-hexanoic acid

Systemtic Name: 3-(3-chlorophenyl)-2-ethanoyl-6-methylsulfanyl-4-oxidanylidene-hexanoic acid Openeye Name: 2-acetyl-3-(3-chlorophenyl)-6-methylsulfanyl-4-oxo-hexanoic acid CAS Name: 2-acetyl-3-(3-chlorophenyl)-6-(methylthio)-4-oxohexanoic acid IUPAC Name: 2-acetyl-3-(3-chlorophenyl)-6-methylsulfanyl-4-oxohexanoic acid Traditional Name: 2-acetyl-3-(3-chlorophenyl)-4-keto-6-(methylthio)hexanoic acid Formula: C15H17ClO4S MolecularWeight: 328.81108

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H17ClO4S/c1-9(17)13(15(19)20)14(12(18)6-7-21-2)10-4-3-5-11(16)8-10/h3-5,8,13-14H,6-7H2,1-2H3,(H,19,20)