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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1C(F)(F)F)C#N)SCC(=O)O

Isomeric SMILES

C1=CC(=C(C=C1C(F)(F)F)C#N)SCC(=O)O

InChI

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