ethyl 4-methyl-1,5-diphenyl-1,2,4-triazol-4-ium-3-carboxylate; tris(fluoranyl)methanesulfonate

Systemtic Name: ethyl 4-methyl-1,5-diphenyl-1,2,4-triazol-4-ium-3-carboxylate; tris(fluoranyl)methanesulfonate Openeye Name: ethyl 4-methyl-1,5-diphenyl-1,2,4-triazol-4-ium-3-carboxylate; trifluoromethanesulfonate CAS Name: 4-methyl-1,5-diphenyl-1,2,4-triazol-4-ium-3-carboxylic acid ethyl ester; trifluoromethanesulfonate IUPAC Name: ethyl 4-methyl-1,5-diphenyl-1,2,4-triazol-4-ium-3-carboxylate; trifluoromethanesulfonate Traditional Name: 4-methyl-1,5-diphenyl-1,2,4-triazol-4-ium-3-carboxylic acid ethyl ester triflate Formula: C19H18F3N3O5S MolecularWeight: 457.42353

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H18N3O2.CHF3O3S/c1-3-23-18(22)16-19-21(15-12-8-5-9-13-15)17(20(16)2)14-10-6-4-7-11-14;2-1(3,4)8(5,6)7/h4-13H,3H2,1-2H3;(H,5,6,7)/q+1;/p-1