2-[3,4,4-tris(fluoranyl)but-3-enylsulfanyl]pyridine-3-carboxylic acid

Systemtic Name: 2-[3,4,4-tris(fluoranyl)but-3-enylsulfanyl]pyridine-3-carboxylic acid Openeye Name: 2-(3,4,4-trifluorobut-3-enylsulfanyl)pyridine-3-carboxylic acid CAS Name: 2-(3,4,4-trifluorobut-3-enylthio)-3-pyridinecarboxylic acid IUPAC Name: 2-(3,4,4-trifluorobut-3-enylsulfanyl)pyridine-3-carboxylic acid Traditional Name: 2-(3,4,4-trifluorobut-3-enylthio)nicotinic acid Formula: C10H8F3NO2S MolecularWeight: 263.23623

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(N=C1)SCCC(=C(F)F)F)C(=O)O

Isomeric SMILES

C1=CC(=C(N=C1)SCCC(=C(F)F)F)C(=O)O

InChI

InChI=1S/C10H8F3NO2S/c11-7(8(12)13)3-5-17-9-6(10(15)16)2-1-4-14-9/h1-2,4H,3,5H2,(H,15,16)