1-methyl-2-methylsulfonyl-3-phenyl-imidazol-1-ium; tris(fluoranyl)methanesulfonate

Systemtic Name: 1-methyl-2-methylsulfonyl-3-phenyl-imidazol-1-ium; tris(fluoranyl)methanesulfonate Openeye Name: 1-methyl-2-methylsulfonyl-3-phenyl-imidazol-1-ium; trifluoromethanesulfonate CAS Name: 1-methyl-2-methylsulfonyl-3-phenylimidazol-1-ium; trifluoromethanesulfonate IUPAC Name: 1-methyl-2-methylsulfonyl-3-phenylimidazol-1-ium; trifluoromethanesulfonate Traditional Name: 2-mesyl-1-methyl-3-phenyl-imidazol-1-ium triflate Formula: C12H13F3N2O5S2 MolecularWeight: 386.36723

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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