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

Systemtic Name: 1-dodecyl-3-methyl-imidazol-3-ium; tris(fluoranyl)methanesulfonate Openeye Name: 1-dodecyl-3-methyl-imidazol-3-ium; trifluoromethanesulfonate CAS Name: 1-dodecyl-3-methylimidazol-3-ium; trifluoromethanesulfonate IUPAC Name: 1-dodecyl-3-methylimidazol-3-ium; trifluoromethanesulfonate Traditional Name: 1-lauryl-3-methyl-imidazol-3-ium triflate Formula: C17H31F3N2O3S MolecularWeight: 400.49985

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCN1C=C[N+](=C1)C.C(F)(F)(F)S(=O)(=O)[O-]

Isomeric SMILES

CCCCCCCCCCCCN1C=C[N+](=C1)C.C(F)(F)(F)S(=O)(=O)[O-]

InChI

InChI=1S/C16H31N2.CHF3O3S/c1-3-4-5-6-7-8-9-10-11-12-13-18-15-14-17(2)16-18;2-1(3,4)8(5,6)7/h14-16H,3-13H2,1-2H3;(H,5,6,7)/q+1;/p-1