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

Systemtic Name: ethyl 1-(4,6-dimethylpyridin-2-yl)-4,6-diphenyl-pyridin-1-ium-2-carboxylate; tris(fluoranyl)methanesulfonate Openeye Name: ethyl 1-(4,6-dimethyl-2-pyridyl)-4,6-diphenyl-pyridin-1-ium-2-carboxylate; trifluoromethanesulfonate CAS Name: 1-(4,6-dimethyl-2-pyridinyl)-4,6-diphenyl-2-pyridin-1-iumcarboxylic acid ethyl ester; trifluoromethanesulfonate IUPAC Name: ethyl 1-(4,6-dimethylpyridin-2-yl)-4,6-diphenylpyridin-1-ium-2-carboxylate; trifluoromethanesulfonate Traditional Name: 1-(4,6-dimethyl-2-pyridyl)-4,6-diphenyl-pyridin-1-ium-2-carboxylic acid ethyl ester triflate Formula: C28H25F3N2O5S MolecularWeight: 558.56871

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=CC(=[N+]1C2=CC(=CC(=N2)C)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(=CC(=N2)C)C)C3=CC=CC=C3)C4=CC=CC=C4.C(F)(F)(F)S(=O)(=O)[O-]

InChI

InChI=1S/C27H25N2O2.CHF3O3S/c1-4-31-27(30)25-18-23(21-11-7-5-8-12-21)17-24(22-13-9-6-10-14-22)29(25)26-16-19(2)15-20(3)28-26;2-1(3,4)8(5,6)7/h5-18H,4H2,1-3H3;(H,5,6,7)/q+1;/p-1