2-[(3,4-dichlorophenyl)sulfanylmethyl]-5-methoxy-5-oxidanylidene-pentanoic acid

Systemtic Name: 2-[(3,4-dichlorophenyl)sulfanylmethyl]-5-methoxy-5-oxidanylidene-pentanoic acid Openeye Name: 2-[(3,4-dichlorophenyl)sulfanylmethyl]-5-methoxy-5-oxo-pentanoic acid CAS Name: 2-[[(3,4-dichlorophenyl)thio]methyl]-5-methoxy-5-oxopentanoic acid IUPAC Name: 2-[(3,4-dichlorophenyl)sulfanylmethyl]-5-methoxy-5-oxopentanoic acid Traditional Name: 2-[[(3,4-dichlorophenyl)thio]methyl]-5-keto-5-methoxy-valeric acid Formula: C13H14Cl2O4S MolecularWeight: 337.21886

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCC(CSC1=CC(=C(C=C1)Cl)Cl)C(=O)O

Isomeric SMILES

COC(=O)CCC(CSC1=CC(=C(C=C1)Cl)Cl)C(=O)O

InChI

InChI=1S/C13H14Cl2O4S/c1-19-12(16)5-2-8(13(17)18)7-20-9-3-4-10(14)11(15)6-9/h3-4,6,8H,2,5,7H2,1H3,(H,17,18)