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The molecular formula is C12H13F3N2O3S.
The synonyms are BzMIMOTF, 606925-13-7, and 3-Benzyl-1-methyl-1H-imidazol-3-ium trifluoromethanesulfonate.
The molecular weight is 322.31 g/mol.
The component compounds are Trifluoromethanesulfonic acid and 3-Benzyl-1-methyl-1H-imidazol-3-ium.
The IUPAC name is 1-benzyl-3-methylimidazol-3-ium;trifluoromethanesulfonate.
The InChI is InChI=1S/C11H13N2.CHF3O3S/c1-12-7-8-13(10-12)9-11-5-3-2-4-6-11;2-1(3,4)8(5,6)7/h2-8,10H,9H2,1H3;(H,5,6,7)/q+1;/p-1.
The InChIKey is MINQAGIVFVSOOZ-UHFFFAOYSA-M.
The canonical SMILES is C[N+]1=CN(C=C1)CC2=CC=CC=C2.C(F)(F)(F)S(=O)(=O)[O-].
The hydrogen bond donor count is 0.
Yes, it is a canonicalized compound.
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