5-pyridin-1-ium-1-yl-2,6-bis(trifluoromethyl)pyrimidin-4-olate

Systemtic Name: 5-pyridin-1-ium-1-yl-2,6-bis(trifluoromethyl)pyrimidin-4-olate Openeye Name: 5-pyridin-1-ium-1-yl-2,6-bis(trifluoromethyl)pyrimidin-4-olate CAS Name: 5-(1-pyridin-1-iumyl)-2,6-bis(trifluoromethyl)-4-pyrimidinolate IUPAC Name: 5-pyridin-1-ium-1-yl-2,6-bis(trifluoromethyl)pyrimidin-4-olate Traditional Name: 5-pyridin-1-ium-1-yl-2,6-bis(trifluoromethyl)pyrimidin-4-olate Formula: C11H5F6N3O MolecularWeight: 309.167319

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=[N+](C=C1)C2=C(N=C(N=C2[O-])C(F)(F)F)C(F)(F)F

Isomeric SMILES

C1=CC=[N+](C=C1)C2=C(N=C(N=C2[O-])C(F)(F)F)C(F)(F)F

InChI

InChI=1S/C11H5F6N3O/c12-10(13,14)7-6(20-4-2-1-3-5-20)8(21)19-9(18-7)11(15,16)17/h1-5H