[1-(3,5-dimethoxyphenyl)-2-oxidanylidene-2-phenyl-ethyl] 3-methylimidazol-3-ium-1-carboxylate; tris(fluoranyl)methanesulfonate

Systemtic Name: [1-(3,5-dimethoxyphenyl)-2-oxidanylidene-2-phenyl-ethyl] 3-methylimidazol-3-ium-1-carboxylate; tris(fluoranyl)methanesulfonate Openeye Name: [1-(3,5-dimethoxyphenyl)-2-oxo-2-phenyl-ethyl] 3-methylimidazol-3-ium-1-carboxylate; trifluoromethanesulfonate CAS Name: 3-methyl-1-imidazol-3-iumcarboxylic acid [1-(3,5-dimethoxyphenyl)-2-oxo-2-phenylethyl] ester; trifluoromethanesulfonate IUPAC Name: [1-(3,5-dimethoxyphenyl)-2-oxo-2-phenylethyl] 3-methylimidazol-3-ium-1-carboxylate; trifluoromethanesulfonate Traditional Name: 3-methylimidazol-3-ium-1-carboxylic acid [1-(3,5-dimethoxyphenyl)-2-keto-2-phenyl-ethyl] ester triflate Formula: C22H21F3N2O8S MolecularWeight: 530.47095

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H21N2O5.CHF3O3S/c1-22-9-10-23(14-22)21(25)28-20(19(24)15-7-5-4-6-8-15)16-11-17(26-2)13-18(12-16)27-3;2-1(3,4)8(5,6)7/h4-14,20H,1-3H3;(H,5,6,7)/q+1;/p-1