3-[3,4-bis(fluoranyl)phenyl]sulfonylpropanoic acid

Systemtic Name: 3-[3,4-bis(fluoranyl)phenyl]sulfonylpropanoic acid Openeye Name: 3-(3,4-difluorophenyl)sulfonylpropanoic acid CAS Name: 3-(3,4-difluorophenyl)sulfonylpropanoic acid IUPAC Name: 3-(3,4-difluorophenyl)sulfonylpropanoic acid Traditional Name: 3-(3,4-difluorophenyl)sulfonylpropionic acid Formula: C9H8F2O4S MolecularWeight: 250.219226

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1S(=O)(=O)CCC(=O)O)F)F

Isomeric SMILES

C1=CC(=C(C=C1S(=O)(=O)CCC(=O)O)F)F

InChI

InChI=1S/C9H8F2O4S/c10-7-2-1-6(5-8(7)11)16(14,15)4-3-9(12)13/h1-2,5H,3-4H2,(H,12,13)