(3R)-3-azaniumyl-3-[3,5-bis(trifluoromethyl)phenyl]propanoate

Systemtic Name: (3R)-3-azaniumyl-3-[3,5-bis(trifluoromethyl)phenyl]propanoate Openeye Name: (3R)-3-azaniumyl-3-[3,5-bis(trifluoromethyl)phenyl]propanoate CAS Name: (3R)-3-ammonio-3-[3,5-bis(trifluoromethyl)phenyl]propanoate IUPAC Name: (3R)-3-azaniumyl-3-[3,5-bis(trifluoromethyl)phenyl]propanoate Traditional Name: (3R)-3-ammonio-3-[3,5-bis(trifluoromethyl)phenyl]propionate Formula: C11H9F6NO2 MolecularWeight: 301.185079

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H9F6NO2/c12-10(13,14)6-1-5(8(18)4-9(19)20)2-7(3-6)11(15,16)17/h1-3,8H,4,18H2,(H,19,20)/t8-/m1/s1