2-[2,3,4,5,6-pentakis(fluoranyl)phenyl]sulfanylpyridine-3-carboxylate

Systemtic Name: 2-[2,3,4,5,6-pentakis(fluoranyl)phenyl]sulfanylpyridine-3-carboxylate Openeye Name: 2-(2,3,4,5,6-pentafluorophenyl)sulfanylpyridine-3-carboxylate CAS Name: 2-[(2,3,4,5,6-pentafluorophenyl)thio]-3-pyridinecarboxylate IUPAC Name: 2-(2,3,4,5,6-pentafluorophenyl)sulfanylpyridine-3-carboxylate Traditional Name: 2-[(2,3,4,5,6-pentafluorophenyl)thio]nicotinate Formula: C12H3F5NO2S- MolecularWeight: 320.214736

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(N=C1)SC2=C(C(=C(C(=C2F)F)F)F)F)C(=O)[O-]

Isomeric SMILES

C1=CC(=C(N=C1)SC2=C(C(=C(C(=C2F)F)F)F)F)C(=O)[O-]

InChI

InChI=1S/C12H4F5NO2S/c13-5-6(14)8(16)10(9(17)7(5)15)21-11-4(12(19)20)2-1-3-18-11/h1-3H,(H,19,20)/p-1