(2S)-2-azaniumyl-2-[3,5-bis(trifluoromethyl)phenyl]ethanoate

Systemtic Name: (2S)-2-azaniumyl-2-[3,5-bis(trifluoromethyl)phenyl]ethanoate Openeye Name: (2S)-2-azaniumyl-2-[3,5-bis(trifluoromethyl)phenyl]acetate CAS Name: (2S)-2-ammonio-2-[3,5-bis(trifluoromethyl)phenyl]acetate IUPAC Name: (2S)-2-azaniumyl-2-[3,5-bis(trifluoromethyl)phenyl]acetate Traditional Name: (2S)-2-ammonio-2-[3,5-bis(trifluoromethyl)phenyl]acetate Formula: C10H7F6NO2 MolecularWeight: 287.158499

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C10H7F6NO2/c11-9(12,13)5-1-4(7(17)8(18)19)2-6(3-5)10(14,15)16/h1-3,7H,17H2,(H,18,19)/t7-/m0/s1