phenyl 4,6-diphenyl-1-pyridin-2-yl-pyridin-1-ium-2-carboxylate; tris(fluoranyl)methanesulfonate

Systemtic Name: phenyl 4,6-diphenyl-1-pyridin-2-yl-pyridin-1-ium-2-carboxylate; tris(fluoranyl)methanesulfonate Openeye Name: phenyl 4,6-diphenyl-1-(2-pyridyl)pyridin-1-ium-2-carboxylate; trifluoromethanesulfonate CAS Name: 4,6-diphenyl-1-(2-pyridinyl)-2-pyridin-1-iumcarboxylic acid phenyl ester; trifluoromethanesulfonate IUPAC Name: phenyl 4,6-diphenyl-1-pyridin-2-ylpyridin-1-ium-2-carboxylate; trifluoromethanesulfonate Traditional Name: 4,6-diphenyl-1-(2-pyridyl)pyridin-1-ium-2-carboxylic acid phenyl ester triflate Formula: C30H21F3N2O5S MolecularWeight: 578.55835

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=CC(=[N+](C(=C2)C(=O)OC3=CC=CC=C3)C4=CC=CC=N4)C5=CC=CC=C5.C(F)(F)(F)S(=O)(=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)C2=CC(=[N+](C(=C2)C(=O)OC3=CC=CC=C3)C4=CC=CC=N4)C5=CC=CC=C5.C(F)(F)(F)S(=O)(=O)[O-]

InChI

InChI=1S/C29H21N2O2.CHF3O3S/c32-29(33-25-16-8-3-9-17-25)27-21-24(22-12-4-1-5-13-22)20-26(23-14-6-2-7-15-23)31(27)28-18-10-11-19-30-28;2-1(3,4)8(5,6)7/h1-21H;(H,5,6,7)/q+1;/p-1