3-[2,5-bis(chloranyl)phenyl]sulfanylpropanoate

Systemtic Name: 3-[2,5-bis(chloranyl)phenyl]sulfanylpropanoate Openeye Name: 3-(2,5-dichlorophenyl)sulfanylpropanoate CAS Name: 3-[(2,5-dichlorophenyl)thio]propanoate IUPAC Name: 3-(2,5-dichlorophenyl)sulfanylpropanoate Traditional Name: 3-[(2,5-dichlorophenyl)thio]propionate Formula: C9H7Cl2O2S- MolecularWeight: 250.12168

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C9H8Cl2O2S/c10-6-1-2-7(11)8(5-6)14-4-3-9(12)13/h1-2,5H,3-4H2,(H,12,13)/p-1