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

Systemtic Name: (2S)-2-azaniumyl-3-[[3-(trifluoromethyl)phenyl]methylsulfanyl]propanoate Openeye Name: (2S)-2-azaniumyl-3-[[3-(trifluoromethyl)phenyl]methylsulfanyl]propanoate CAS Name: (2S)-2-ammonio-3-[[3-(trifluoromethyl)phenyl]methylthio]propanoate IUPAC Name: (2S)-2-azaniumyl-3-[[3-(trifluoromethyl)phenyl]methylsulfanyl]propanoate Traditional Name: (2S)-2-ammonio-3-[[3-(trifluoromethyl)benzyl]thio]propionate Formula: C11H12F3NO2S MolecularWeight: 279.27869

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H12F3NO2S/c12-11(13,14)8-3-1-2-7(4-8)5-18-6-9(15)10(16)17/h1-4,9H,5-6,15H2,(H,16,17)/t9-/m1/s1