2-[4-cyano-3-(trifluoromethyl)phenyl]sulfanylpropanoic acid

Systemtic Name: 2-[4-cyano-3-(trifluoromethyl)phenyl]sulfanylpropanoic acid Openeye Name: 2-[4-cyano-3-(trifluoromethyl)phenyl]sulfanylpropanoic acid CAS Name: 2-[[4-cyano-3-(trifluoromethyl)phenyl]thio]propanoic acid IUPAC Name: 2-[4-cyano-3-(trifluoromethyl)phenyl]sulfanylpropanoic acid Traditional Name: 2-[[4-cyano-3-(trifluoromethyl)phenyl]thio]propionic acid Formula: C11H8F3NO2S MolecularWeight: 275.24693

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)O)SC1=CC(=C(C=C1)C#N)C(F)(F)F

Isomeric SMILES

CC(C(=O)O)SC1=CC(=C(C=C1)C#N)C(F)(F)F

InChI

InChI=1S/C11H8F3NO2S/c1-6(10(16)17)18-8-3-2-7(5-15)9(4-8)11(12,13)14/h2-4,6H,1H3,(H,16,17)