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

Systemtic Name: 2,3,4,5-tetraphenyl-1-(phenylmethyl)-4H-imidazol-1-ium-5-ol; tris(fluoranyl)methanesulfonate Openeye Name: 1-benzyl-2,3,4,5-tetraphenyl-4H-imidazol-1-ium-5-ol; trifluoromethanesulfonate CAS Name: 2,3,4,5-tetraphenyl-1-(phenylmethyl)-4H-imidazol-1-ium-5-ol; trifluoromethanesulfonate IUPAC Name: 1-benzyl-2,3,4,5-tetraphenyl-4H-imidazol-1-ium-5-ol; trifluoromethanesulfonate Traditional Name: 3-benzyl-1,2,4,5-tetraphenyl-2-imidazolin-3-ium-4-ol triflate Formula: C35H29F3N2O4S MolecularWeight: 630.67597

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C[N+]2=C(N(C(C2(C3=CC=CC=C3)O)C4=CC=CC=C4)C5=CC=CC=C5)C6=CC=CC=C6.C(F)(F)(F)S(=O)(=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)C[N+]2=C(N(C(C2(C3=CC=CC=C3)O)C4=CC=CC=C4)C5=CC=CC=C5)C6=CC=CC=C6.C(F)(F)(F)S(=O)(=O)[O-]

InChI

InChI=1S/C34H29N2O.CHF3O3S/c37-34(30-22-12-4-13-23-30)32(28-18-8-2-9-19-28)36(31-24-14-5-15-25-31)33(29-20-10-3-11-21-29)35(34)26-27-16-6-1-7-17-27;2-1(3,4)8(5,6)7/h1-25,32,37H,26H2;(H,5,6,7)/q+1;/p-1