2-[[3-(trifluoromethyl)phenyl]methylsulfanyl]propanoic acid

Systemtic Name: 2-[[3-(trifluoromethyl)phenyl]methylsulfanyl]propanoic acid Openeye Name: 2-[[3-(trifluoromethyl)phenyl]methylsulfanyl]propanoic acid CAS Name: 2-[[3-(trifluoromethyl)phenyl]methylthio]propanoic acid IUPAC Name: 2-[[3-(trifluoromethyl)phenyl]methylsulfanyl]propanoic acid Traditional Name: 2-[[3-(trifluoromethyl)benzyl]thio]propionic acid Formula: C11H11F3O2S MolecularWeight: 264.26405

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)O)SCC1=CC(=CC=C1)C(F)(F)F

Isomeric SMILES

CC(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)