3-[3,4-bis(fluoranyl)phenyl]sulfanylpropanoate

Systemtic Name: 3-[3,4-bis(fluoranyl)phenyl]sulfanylpropanoate Openeye Name: 3-(3,4-difluorophenyl)sulfanylpropanoate CAS Name: 3-[(3,4-difluorophenyl)thio]propanoate IUPAC Name: 3-(3,4-difluorophenyl)sulfanylpropanoate Traditional Name: 3-[(3,4-difluorophenyl)thio]propionate Formula: C9H7F2O2S- MolecularWeight: 217.212486

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1SCCC(=O)[O-])F)F

Isomeric SMILES

C1=CC(=C(C=C1SCCC(=O)[O-])F)F

InChI

InChI=1S/C9H8F2O2S/c10-7-2-1-6(5-8(7)11)14-4-3-9(12)13/h1-2,5H,3-4H2,(H,12,13)/p-1