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

Systemtic Name: 1-methyl-3-(4-methylphenyl)sulfonyl-imidazol-1-ium; tris(fluoranyl)methanesulfonate Openeye Name: 1-methyl-3-(p-tolylsulfonyl)imidazol-1-ium; trifluoromethanesulfonate CAS Name: 1-methyl-3-(4-methylphenyl)sulfonylimidazol-1-ium; trifluoromethanesulfonate IUPAC Name: 1-methyl-3-(4-methylphenyl)sulfonylimidazol-1-ium; trifluoromethanesulfonate Traditional Name: 1-methyl-3-tosyl-imidazol-1-ium triflate Formula: C12H13F3N2O5S2 MolecularWeight: 386.36723

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2C=C[N+](=C2)C.C(F)(F)(F)S(=O)(=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2C=C[N+](=C2)C.C(F)(F)(F)S(=O)(=O)[O-]

InChI

InChI=1S/C11H13N2O2S.CHF3O3S/c1-10-3-5-11(6-4-10)16(14,15)13-8-7-12(2)9-13;2-1(3,4)8(5,6)7/h3-9H,1-2H3;(H,5,6,7)/q+1;/p-1