1-(1,3-dimethyl-4,5-diphenyl-imidazol-1-ium-2-yl)sulfanylpropan-2-one; tris(fluoranyl)methanesulfonate

Systemtic Name: 1-(1,3-dimethyl-4,5-diphenyl-imidazol-1-ium-2-yl)sulfanylpropan-2-one; tris(fluoranyl)methanesulfonate Openeye Name: 1-(1,3-dimethyl-4,5-diphenyl-imidazol-1-ium-2-yl)sulfanylpropan-2-one; trifluoromethanesulfonate CAS Name: 1-[(1,3-dimethyl-4,5-diphenyl-2-imidazol-1-iumyl)thio]-2-propanone; trifluoromethanesulfonate IUPAC Name: 1-(1,3-dimethyl-4,5-diphenylimidazol-1-ium-2-yl)sulfanylpropan-2-one; trifluoromethanesulfonate Traditional Name: 1-[(1,3-dimethyl-4,5-diphenyl-imidazol-1-ium-2-yl)thio]acetone triflate Formula: C21H21F3N2O4S2 MolecularWeight: 486.52765

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)CSC1=[N+](C(=C(N1C)C2=CC=CC=C2)C3=CC=CC=C3)C.C(F)(F)(F)S(=O)(=O)[O-]

Isomeric SMILES

CC(=O)CSC1=[N+](C(=C(N1C)C2=CC=CC=C2)C3=CC=CC=C3)C.C(F)(F)(F)S(=O)(=O)[O-]

InChI

InChI=1S/C20H21N2OS.CHF3O3S/c1-15(23)14-24-20-21(2)18(16-10-6-4-7-11-16)19(22(20)3)17-12-8-5-9-13-17;2-1(3,4)8(5,6)7/h4-13H,14H2,1-3H3;(H,5,6,7)/q+1;/p-1