1,2,4,5-tetraphenyl-3-(1-phenylethyl)imidazol-3-ium; tris(fluoranyl)methanesulfonate

Systemtic Name: 1,2,4,5-tetraphenyl-3-(1-phenylethyl)imidazol-3-ium; tris(fluoranyl)methanesulfonate Openeye Name: 1,2,4,5-tetraphenyl-3-(1-phenylethyl)imidazol-3-ium; trifluoromethanesulfonate CAS Name: 1,2,4,5-tetraphenyl-3-(1-phenylethyl)imidazol-3-ium; trifluoromethanesulfonate IUPAC Name: 1,2,4,5-tetraphenyl-3-(1-phenylethyl)imidazol-3-ium; trifluoromethanesulfonate Traditional Name: 1,2,4,5-tetraphenyl-3-(1-phenylethyl)imidazol-3-ium triflate Formula: C36H29F3N2O3S MolecularWeight: 626.68727

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CC=C1)[N+]2=C(N(C(=C2C3=CC=CC=C3)C4=CC=CC=C4)C5=CC=CC=C5)C6=CC=CC=C6.C(F)(F)(F)S(=O)(=O)[O-]

Isomeric SMILES

CC(C1=CC=CC=C1)[N+]2=C(N(C(=C2C3=CC=CC=C3)C4=CC=CC=C4)C5=CC=CC=C5)C6=CC=CC=C6.C(F)(F)(F)S(=O)(=O)[O-]

InChI

InChI=1S/C35H29N2.CHF3O3S/c1-27(28-17-7-2-8-18-28)36-33(29-19-9-3-10-20-29)34(30-21-11-4-12-22-30)37(32-25-15-6-16-26-32)35(36)31-23-13-5-14-24-31;2-1(3,4)8(5,6)7/h2-27H,1H3;(H,5,6,7)/q+1;/p-1