2-[2,2,2-tris(fluoranyl)ethylsulfanyl]pyridine-3-carboxylate

Systemtic Name: 2-[2,2,2-tris(fluoranyl)ethylsulfanyl]pyridine-3-carboxylate Openeye Name: 2-(2,2,2-trifluoroethylsulfanyl)pyridine-3-carboxylate CAS Name: 2-(2,2,2-trifluoroethylthio)-3-pyridinecarboxylate IUPAC Name: 2-(2,2,2-trifluoroethylsulfanyl)pyridine-3-carboxylate Traditional Name: 2-(2,2,2-trifluoroethylthio)nicotinate Formula: C8H5F3NO2S- MolecularWeight: 236.19101

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(N=C1)SCC(F)(F)F)C(=O)[O-]

Isomeric SMILES

C1=CC(=C(N=C1)SCC(F)(F)F)C(=O)[O-]

InChI

InChI=1S/C8H6F3NO2S/c9-8(10,11)4-15-6-5(7(13)14)2-1-3-12-6/h1-3H,4H2,(H,13,14)/p-1