4-phenyl-1-(trifluoromethyl)benzo[f]quinolin-4-ium; tris(fluoranyl)methanesulfonate

Systemtic Name: 4-phenyl-1-(trifluoromethyl)benzo[f]quinolin-4-ium; tris(fluoranyl)methanesulfonate Openeye Name: 4-phenyl-1-(trifluoromethyl)benzo[f]quinolin-4-ium; trifluoromethanesulfonate CAS Name: 4-phenyl-1-(trifluoromethyl)benzo[f]quinolin-4-ium; trifluoromethanesulfonate IUPAC Name: 4-phenyl-1-(trifluoromethyl)benzo[f]quinolin-4-ium; trifluoromethanesulfonate Traditional Name: 4-phenyl-1-(trifluoromethyl)benzo[f]quinolin-4-ium triflate Formula: C21H13F6NO3S MolecularWeight: 473.388239

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)[N+]2=C3C=CC4=CC=CC=C4C3=C(C=C2)C(F)(F)F.C(F)(F)(F)S(=O)(=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)[N+]2=C3C=CC4=CC=CC=C4C3=C(C=C2)C(F)(F)F.C(F)(F)(F)S(=O)(=O)[O-]

InChI

InChI=1S/C20H13F3N.CHF3O3S/c21-20(22,23)17-12-13-24(15-7-2-1-3-8-15)18-11-10-14-6-4-5-9-16(14)19(17)18;2-1(3,4)8(5,6)7/h1-13H;(H,5,6,7)/q+1;/p-1