1-(3-nitrophenyl)-2,3,4,6-tetraphenyl-pyridin-1-ium; tris(fluoranyl)methanesulfonate

Systemtic Name: 1-(3-nitrophenyl)-2,3,4,6-tetraphenyl-pyridin-1-ium; tris(fluoranyl)methanesulfonate Openeye Name: 1-(3-nitrophenyl)-2,3,4,6-tetraphenyl-pyridin-1-ium; trifluoromethanesulfonate CAS Name: 1-(3-nitrophenyl)-2,3,4,6-tetraphenylpyridin-1-ium; trifluoromethanesulfonate IUPAC Name: 1-(3-nitrophenyl)-2,3,4,6-tetraphenylpyridin-1-ium; trifluoromethanesulfonate Traditional Name: 1-(3-nitrophenyl)-2,3,4,6-tetraphenyl-pyridin-1-ium triflate Formula: C36H25F3N2O5S MolecularWeight: 654.65431

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=CC(=[N+](C(=C2C3=CC=CC=C3)C4=CC=CC=C4)C5=CC(=CC=C5)[N+](=O)[O-])C6=CC=CC=C6.C(F)(F)(F)S(=O)(=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)C2=CC(=[N+](C(=C2C3=CC=CC=C3)C4=CC=CC=C4)C5=CC(=CC=C5)[N+](=O)[O-])C6=CC=CC=C6.C(F)(F)(F)S(=O)(=O)[O-]

InChI

InChI=1S/C35H25N2O2.CHF3O3S/c38-37(39)31-23-13-22-30(24-31)36-33(27-16-7-2-8-17-27)25-32(26-14-5-1-6-15-26)34(28-18-9-3-10-19-28)35(36)29-20-11-4-12-21-29;2-1(3,4)8(5,6)7/h1-25H;(H,5,6,7)/q+1;/p-1