(3S)-3-azaniumyl-3-[2-chloranyl-5-(trifluoromethyl)phenyl]propanoate

Systemtic Name: (3S)-3-azaniumyl-3-[2-chloranyl-5-(trifluoromethyl)phenyl]propanoate Openeye Name: (3S)-3-azaniumyl-3-[2-chloro-5-(trifluoromethyl)phenyl]propanoate CAS Name: (3S)-3-ammonio-3-[2-chloro-5-(trifluoromethyl)phenyl]propanoate IUPAC Name: (3S)-3-azaniumyl-3-[2-chloro-5-(trifluoromethyl)phenyl]propanoate Traditional Name: (3S)-3-ammonio-3-[2-chloro-5-(trifluoromethyl)phenyl]propionate Formula: C10H9ClF3NO2 MolecularWeight: 267.63217

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C10H9ClF3NO2/c11-7-2-1-5(10(12,13)14)3-6(7)8(15)4-9(16)17/h1-3,8H,4,15H2,(H,16,17)/t8-/m0/s1