1-(1,3,4,5-tetramethylimidazol-1-ium-2-yl)sulfanylbutan-2-one; tris(fluoranyl)methanesulfonate

Systemtic Name: 1-(1,3,4,5-tetramethylimidazol-1-ium-2-yl)sulfanylbutan-2-one; tris(fluoranyl)methanesulfonate Openeye Name: 1-(1,3,4,5-tetramethylimidazol-1-ium-2-yl)sulfanylbutan-2-one; trifluoromethanesulfonate CAS Name: 1-[(1,3,4,5-tetramethyl-2-imidazol-1-iumyl)thio]-2-butanone; trifluoromethanesulfonate IUPAC Name: 1-(1,3,4,5-tetramethylimidazol-1-ium-2-yl)sulfanylbutan-2-one; trifluoromethanesulfonate Traditional Name: 1-[(1,3,4,5-tetramethylimidazol-1-ium-2-yl)thio]butan-2-one triflate Formula: C12H19F3N2O4S2 MolecularWeight: 376.41547

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)CSC1=[N+](C(=C(N1C)C)C)C.C(F)(F)(F)S(=O)(=O)[O-]

Isomeric SMILES

CCC(=O)CSC1=[N+](C(=C(N1C)C)C)C.C(F)(F)(F)S(=O)(=O)[O-]

InChI

InChI=1S/C11H19N2OS.CHF3O3S/c1-6-10(14)7-15-11-12(4)8(2)9(3)13(11)5;2-1(3,4)8(5,6)7/h6-7H2,1-5H3;(H,5,6,7)/q+1;/p-1