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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H11F3O2S/c12-11(13,14)9-3-1-2-8(6-9)7-17-5-4-10(15)16/h1-3,6H,4-5,7H2,(H,15,16)