(2S)-2-azaniumyl-2-[4-(trifluoromethylsulfanyl)phenyl]ethanoate

Systemtic Name: (2S)-2-azaniumyl-2-[4-(trifluoromethylsulfanyl)phenyl]ethanoate Openeye Name: (2S)-2-azaniumyl-2-[4-(trifluoromethylsulfanyl)phenyl]acetate CAS Name: (2S)-2-ammonio-2-[4-(trifluoromethylthio)phenyl]acetate IUPAC Name: (2S)-2-azaniumyl-2-[4-(trifluoromethylsulfanyl)phenyl]acetate Traditional Name: (2S)-2-ammonio-2-[4-(trifluoromethylthio)phenyl]acetate Formula: C9H8F3NO2S MolecularWeight: 251.22553

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C9H8F3NO2S/c10-9(11,12)16-6-3-1-5(2-4-6)7(13)8(14)15/h1-4,7H,13H2,(H,14,15)/t7-/m0/s1