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

Systemtic Name: ethyl 1-(4-methylphenyl)-4,6-diphenyl-pyridin-1-ium-2-carboxylate; tris(fluoranyl)methanesulfonate Openeye Name: ethyl 4,6-diphenyl-1-(p-tolyl)pyridin-1-ium-2-carboxylate; trifluoromethanesulfonate CAS Name: 1-(4-methylphenyl)-4,6-diphenyl-2-pyridin-1-iumcarboxylic acid ethyl ester; trifluoromethanesulfonate IUPAC Name: ethyl 1-(4-methylphenyl)-4,6-diphenylpyridin-1-ium-2-carboxylate; trifluoromethanesulfonate Traditional Name: 4,6-diphenyl-1-(p-tolyl)pyridin-1-ium-2-carboxylic acid ethyl ester triflate Formula: C28H24F3NO5S MolecularWeight: 543.55407

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=CC(=[N+]1C2=CC=C(C=C2)C)C3=CC=CC=C3)C4=CC=CC=C4.C(F)(F)(F)S(=O)(=O)[O-]

Isomeric SMILES

CCOC(=O)C1=CC(=CC(=[N+]1C2=CC=C(C=C2)C)C3=CC=CC=C3)C4=CC=CC=C4.C(F)(F)(F)S(=O)(=O)[O-]

InChI

InChI=1S/C27H24NO2.CHF3O3S/c1-3-30-27(29)26-19-23(21-10-6-4-7-11-21)18-25(22-12-8-5-9-13-22)28(26)24-16-14-20(2)15-17-24;2-1(3,4)8(5,6)7/h4-19H,3H2,1-2H3;(H,5,6,7)/q+1;/p-1