(3R)-3-azaniumyl-3-[3,4-bis(fluoranyl)phenyl]propanoate

Systemtic Name: (3R)-3-azaniumyl-3-[3,4-bis(fluoranyl)phenyl]propanoate Openeye Name: (3R)-3-azaniumyl-3-(3,4-difluorophenyl)propanoate CAS Name: (3R)-3-ammonio-3-(3,4-difluorophenyl)propanoate IUPAC Name: (3R)-3-azaniumyl-3-(3,4-difluorophenyl)propanoate Traditional Name: (3R)-3-ammonio-3-(3,4-difluorophenyl)propionate Formula: C9H9F2NO2 MolecularWeight: 201.170066

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1C(CC(=O)[O-])[NH3+])F)F

Isomeric SMILES

C1=CC(=C(C=C1[C@@H](CC(=O)[O-])[NH3+])F)F

InChI

InChI=1S/C9H9F2NO2/c10-6-2-1-5(3-7(6)11)8(12)4-9(13)14/h1-3,8H,4,12H2,(H,13,14)/t8-/m1/s1