2-[(3,4-dichlorophenyl)sulfanylmethyl]-6-methoxy-6-oxidanylidene-hexanoic acid

Systemtic Name: 2-[(3,4-dichlorophenyl)sulfanylmethyl]-6-methoxy-6-oxidanylidene-hexanoic acid Openeye Name: 2-[(3,4-dichlorophenyl)sulfanylmethyl]-6-methoxy-6-oxo-hexanoic acid CAS Name: 2-[[(3,4-dichlorophenyl)thio]methyl]-6-methoxy-6-oxohexanoic acid IUPAC Name: 2-[(3,4-dichlorophenyl)sulfanylmethyl]-6-methoxy-6-oxohexanoic acid Traditional Name: 2-[[(3,4-dichlorophenyl)thio]methyl]-6-keto-6-methoxy-hexanoic acid Formula: C14H16Cl2O4S MolecularWeight: 351.24544

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H16Cl2O4S/c1-20-13(17)4-2-3-9(14(18)19)8-21-10-5-6-11(15)12(16)7-10/h5-7,9H,2-4,8H2,1H3,(H,18,19)