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

Systemtic Name: 2-[4-cyano-3-(trifluoromethyl)phenyl]sulfanylethanoic acid Openeye Name: 2-[4-cyano-3-(trifluoromethyl)phenyl]sulfanylacetic acid CAS Name: 2-[[4-cyano-3-(trifluoromethyl)phenyl]thio]acetic acid IUPAC Name: 2-[4-cyano-3-(trifluoromethyl)phenyl]sulfanylacetic acid Traditional Name: 2-[[4-cyano-3-(trifluoromethyl)phenyl]thio]acetic acid Formula: C10H6F3NO2S MolecularWeight: 261.22035

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1SCC(=O)O)C(F)(F)F)C#N

Isomeric SMILES

C1=CC(=C(C=C1SCC(=O)O)C(F)(F)F)C#N

InChI

InChI=1S/C10H6F3NO2S/c11-10(12,13)8-3-7(17-5-9(15)16)2-1-6(8)4-14/h1-3H,5H2,(H,15,16)