(3S)-3-azaniumyl-3-[4-(trifluoromethyl)phenyl]propanoate

Systemtic Name: (3S)-3-azaniumyl-3-[4-(trifluoromethyl)phenyl]propanoate Openeye Name: (3S)-3-azaniumyl-3-[4-(trifluoromethyl)phenyl]propanoate CAS Name: (3S)-3-ammonio-3-[4-(trifluoromethyl)phenyl]propanoate IUPAC Name: (3S)-3-azaniumyl-3-[4-(trifluoromethyl)phenyl]propanoate Traditional Name: (3S)-3-ammonio-3-[4-(trifluoromethyl)phenyl]propionate Formula: C10H10F3NO2 MolecularWeight: 233.18711

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C10H10F3NO2/c11-10(12,13)7-3-1-6(2-4-7)8(14)5-9(15)16/h1-4,8H,5,14H2,(H,15,16)/t8-/m0/s1