2-pyridin-1-ium-2-ylpyridin-1-ium; tris(fluoranyl)methanesulfonate

Systemtic Name: 2-pyridin-1-ium-2-ylpyridin-1-ium; tris(fluoranyl)methanesulfonate Openeye Name: 2-pyridin-1-ium-2-ylpyridin-1-ium; trifluoromethanesulfonate CAS Name: 2-(2-pyridin-1-iumyl)pyridin-1-ium; trifluoromethanesulfonate IUPAC Name: 2-pyridin-1-ium-2-ylpyridin-1-ium; trifluoromethanesulfonate Traditional Name: 2-pyridin-1-ium-2-ylpyridin-1-ium ditriflate Formula: C12H10F6N2O6S2 MolecularWeight: 456.338019

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=[NH+]C(=C1)C2=CC=CC=[NH+]2.C(F)(F)(F)S(=O)(=O)[O-].C(F)(F)(F)S(=O)(=O)[O-]

Isomeric SMILES

C1=CC=[NH+]C(=C1)C2=CC=CC=[NH+]2.C(F)(F)(F)S(=O)(=O)[O-].C(F)(F)(F)S(=O)(=O)[O-]

InChI

InChI=1S/C10H8N2.2CHF3O3S/c1-3-7-11-9(5-1)10-6-2-4-8-12-10;2*2-1(3,4)8(5,6)7/h1-8H;2*(H,5,6,7)