(2S)-2-azaniumyl-3,3-bis(fluoranyl)-3-phenyl-propanoate

Systemtic Name: (2S)-2-azaniumyl-3,3-bis(fluoranyl)-3-phenyl-propanoate Openeye Name: (2S)-2-azaniumyl-3,3-difluoro-3-phenyl-propanoate CAS Name: (2S)-2-ammonio-3,3-difluoro-3-phenylpropanoate IUPAC Name: (2S)-2-azaniumyl-3,3-difluoro-3-phenylpropanoate Traditional Name: (2S)-2-ammonio-3,3-difluoro-3-phenyl-propionate Formula: C9H9F2NO2 MolecularWeight: 201.170066

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C9H9F2NO2/c10-9(11,7(12)8(13)14)6-4-2-1-3-5-6/h1-5,7H,12H2,(H,13,14)/t7-/m0/s1