3-[2,6-bis(fluoranyl)phenyl]carbonylsulfanylpropanoic acid

Systemtic Name: 3-[2,6-bis(fluoranyl)phenyl]carbonylsulfanylpropanoic acid Openeye Name: 3-(2,6-difluorobenzoyl)sulfanylpropanoic acid CAS Name: 3-[[(2,6-difluorophenyl)-oxomethyl]thio]propanoic acid IUPAC Name: 3-(2,6-difluorobenzoyl)sulfanylpropanoic acid Traditional Name: 3-[(2,6-difluorobenzoyl)thio]propionic acid Formula: C10H8F2O3S MolecularWeight: 246.230526

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C(=C1)F)C(=O)SCCC(=O)O)F

Isomeric SMILES

C1=CC(=C(C(=C1)F)C(=O)SCCC(=O)O)F

InChI

InChI=1S/C10H8F2O3S/c11-6-2-1-3-7(12)9(6)10(15)16-5-4-8(13)14/h1-3H,4-5H2,(H,13,14)