848641-69-0 Purity
≥98%
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Specification
The molecular formula is C16H23F6N3O2.
The molecular weight is 403.36 g/mol.
The synonyms are 862731-66-6, 1-Methyl-3-octyl-3-imidazolium Bis(2,2,2-trifluoroacetyl)amide, 1-Methyl-3-octylimidazol-1-ium;2,2,2-trifluoro-N-(2,2,2-trifluoroacetyl)ethanimidate, 3-methyl-1-octyl-1h-imidazol-3-ium Bis(trifluoroacetyl)azanide.
It was created on September 21, 2015.
It was last modified on December 30, 2023.
The IUPAC name is 1-methyl-3-octylimidazol-1-ium;2,2,2-trifluoro-N-(2,2,2-trifluoroacetyl)ethanimidate.
The InChI is InChI=1S/C12H23N2.C4HF6NO2/c1-3-4-5-6-7-8-9-14-11-10-13(2)12-14;5-3(6,7)1(12)11-2(13)4(8,9)10/h10-12H,3-9H2,1-2H3;(H,11,12,13)/q+1;/p-1.
The InChIKey is TVSQGRULPHJNSE-UHFFFAOYSA-M.
The canonical SMILES is CCCCCCCCN1C=C[N+](=C1)C.C(=NC(=O)C(F)(F)F)(C(F)(F)F)[O-].
Yes, it is a canonicalized compound.