3-[3,5-bis(chloranyl)phenyl]sulfanylpropanoate

Systemtic Name: 3-[3,5-bis(chloranyl)phenyl]sulfanylpropanoate Openeye Name: 3-(3,5-dichlorophenyl)sulfanylpropanoate CAS Name: 3-[(3,5-dichlorophenyl)thio]propanoate IUPAC Name: 3-(3,5-dichlorophenyl)sulfanylpropanoate Traditional Name: 3-[(3,5-dichlorophenyl)thio]propionate Formula: C9H7Cl2O2S- MolecularWeight: 250.12168

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=C(C=C(C=C1Cl)Cl)SCCC(=O)[O-]

Isomeric SMILES

C1=C(C=C(C=C1Cl)Cl)SCCC(=O)[O-]

InChI

InChI=1S/C9H8Cl2O2S/c10-6-3-7(11)5-8(4-6)14-2-1-9(12)13/h3-5H,1-2H2,(H,12,13)/p-1