(E)-2-cyano-3-[4-(trifluoromethylsulfanyl)phenyl]prop-2-enoic acid

Systemtic Name: (E)-2-cyano-3-[4-(trifluoromethylsulfanyl)phenyl]prop-2-enoic acid Openeye Name: (E)-2-cyano-3-[4-(trifluoromethylsulfanyl)phenyl]prop-2-enoic acid CAS Name: (E)-2-cyano-3-[4-(trifluoromethylthio)phenyl]-2-propenoic acid IUPAC Name: (E)-2-cyano-3-[4-(trifluoromethylsulfanyl)phenyl]prop-2-enoic acid Traditional Name: (E)-2-cyano-3-[4-(trifluoromethylthio)phenyl]acrylic acid Formula: C11H6F3NO2S MolecularWeight: 273.23105

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

C1=CC(=CC=C1/C=C(\C#N)/C(=O)O)SC(F)(F)F

InChI

InChI=1S/C11H6F3NO2S/c12-11(13,14)18-9-3-1-7(2-4-9)5-8(6-15)10(16)17/h1-5H,(H,16,17)/b8-5+