3-[4-cyano-3-(trifluoromethyl)phenyl]sulfanylpropanoic acid

Systemtic Name: 3-[4-cyano-3-(trifluoromethyl)phenyl]sulfanylpropanoic acid Openeye Name: 3-[4-cyano-3-(trifluoromethyl)phenyl]sulfanylpropanoic acid CAS Name: 3-[[4-cyano-3-(trifluoromethyl)phenyl]thio]propanoic acid IUPAC Name: 3-[4-cyano-3-(trifluoromethyl)phenyl]sulfanylpropanoic acid Traditional Name: 3-[[4-cyano-3-(trifluoromethyl)phenyl]thio]propionic acid Formula: C11H8F3NO2S MolecularWeight: 275.24693

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1SCCC(=O)O)C(F)(F)F)C#N

Isomeric SMILES

C1=CC(=C(C=C1SCCC(=O)O)C(F)(F)F)C#N

InChI

InChI=1S/C11H8F3NO2S/c12-11(13,14)9-5-8(2-1-7(9)6-15)18-4-3-10(16)17/h1-2,5H,3-4H2,(H,16,17)