2-(4-nitrophenyl)-4,6-diphenyl-1-(phenylmethyl)pyridin-1-ium; tris(fluoranyl)methanesulfonate

Systemtic Name: 2-(4-nitrophenyl)-4,6-diphenyl-1-(phenylmethyl)pyridin-1-ium; tris(fluoranyl)methanesulfonate Openeye Name: 1-benzyl-2-(4-nitrophenyl)-4,6-diphenyl-pyridin-1-ium; trifluoromethanesulfonate CAS Name: 2-(4-nitrophenyl)-4,6-diphenyl-1-(phenylmethyl)pyridin-1-ium; trifluoromethanesulfonate IUPAC Name: 1-benzyl-2-(4-nitrophenyl)-4,6-diphenylpyridin-1-ium; trifluoromethanesulfonate Traditional Name: 1-benzyl-2-(4-nitrophenyl)-4,6-diphenyl-pyridin-1-ium triflate Formula: C31H23F3N2O5S MolecularWeight: 592.58493

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C30H23N2O2.CHF3O3S/c33-32(34)28-18-16-26(17-19-28)30-21-27(24-12-6-2-7-13-24)20-29(25-14-8-3-9-15-25)31(30)22-23-10-4-1-5-11-23;2-1(3,4)8(5,6)7/h1-21H,22H2;(H,5,6,7)/q+1;/p-1