1-methyl-3-(4-nitrophenyl)imidazol-1-ium; tris(fluoranyl)methanesulfonate

Systemtic Name: 1-methyl-3-(4-nitrophenyl)imidazol-1-ium; tris(fluoranyl)methanesulfonate Openeye Name: 1-methyl-3-(4-nitrophenyl)imidazol-1-ium; trifluoromethanesulfonate CAS Name: 1-methyl-3-(4-nitrophenyl)imidazol-1-ium; trifluoromethanesulfonate IUPAC Name: 1-methyl-3-(4-nitrophenyl)imidazol-1-ium; trifluoromethanesulfonate Traditional Name: 1-methyl-3-(4-nitrophenyl)imidazol-1-ium triflate Formula: C11H10F3N3O5S MolecularWeight: 353.27441

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C10H10N3O2.CHF3O3S/c1-11-6-7-12(8-11)9-2-4-10(5-3-9)13(14)15;2-1(3,4)8(5,6)7/h2-8H,1H3;(H,5,6,7)/q+1;/p-1