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

Systemtic Name: (2S)-2-[[3-(trifluoromethyl)phenyl]methylsulfanyl]propanoate Openeye Name: (2S)-2-[[3-(trifluoromethyl)phenyl]methylsulfanyl]propanoate CAS Name: (2S)-2-[[3-(trifluoromethyl)phenyl]methylthio]propanoate IUPAC Name: (2S)-2-[[3-(trifluoromethyl)phenyl]methylsulfanyl]propanoate Traditional Name: (2S)-2-[[3-(trifluoromethyl)benzyl]thio]propionate Formula: C11H10F3O2S- MolecularWeight: 263.25611

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)[O-])SCC1=CC(=CC=C1)C(F)(F)F

Isomeric SMILES

C[C@@H](C(=O)[O-])SCC1=CC(=CC=C1)C(F)(F)F

InChI

InChI=1S/C11H11F3O2S/c1-7(10(15)16)17-6-8-3-2-4-9(5-8)11(12,13)14/h2-5,7H,6H2,1H3,(H,15,16)/p-1/t7-/m0/s1