1-(4-pyridin-1-ium-1-ylphenyl)pyridin-1-ium; tris(fluoranyl)methanesulfonate

Systemtic Name: 1-(4-pyridin-1-ium-1-ylphenyl)pyridin-1-ium; tris(fluoranyl)methanesulfonate Openeye Name: 1-(4-pyridin-1-ium-1-ylphenyl)pyridin-1-ium; trifluoromethanesulfonate CAS Name: 1-[4-(1-pyridin-1-iumyl)phenyl]pyridin-1-ium; trifluoromethanesulfonate IUPAC Name: 1-(4-pyridin-1-ium-1-ylphenyl)pyridin-1-ium; trifluoromethanesulfonate Traditional Name: 1-(4-pyridin-1-ium-1-ylphenyl)pyridin-1-ium ditriflate Formula: C18H14F6N2O6S2 MolecularWeight: 532.433979

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=[N+](C=C1)C2=CC=C(C=C2)[N+]3=CC=CC=C3.C(F)(F)(F)S(=O)(=O)[O-].C(F)(F)(F)S(=O)(=O)[O-]

Isomeric SMILES

C1=CC=[N+](C=C1)C2=CC=C(C=C2)[N+]3=CC=CC=C3.C(F)(F)(F)S(=O)(=O)[O-].C(F)(F)(F)S(=O)(=O)[O-]

InChI

InChI=1S/C16H14N2.2CHF3O3S/c1-3-11-17(12-4-1)15-7-9-16(10-8-15)18-13-5-2-6-14-18;2*2-1(3,4)8(5,6)7/h1-14H;2*(H,5,6,7)/q+2;;/p-2