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

Systemtic Name: 1-(4-methylphenyl)-2,3,4,6-tetraphenyl-pyridin-1-ium; tris(fluoranyl)methanesulfonate Openeye Name: 2,3,4,6-tetraphenyl-1-(p-tolyl)pyridin-1-ium; trifluoromethanesulfonate CAS Name: 1-(4-methylphenyl)-2,3,4,6-tetraphenylpyridin-1-ium; trifluoromethanesulfonate IUPAC Name: 1-(4-methylphenyl)-2,3,4,6-tetraphenylpyridin-1-ium; trifluoromethanesulfonate Traditional Name: 2,3,4,6-tetraphenyl-1-(p-tolyl)pyridin-1-ium triflate Formula: C37H28F3NO3S MolecularWeight: 623.68333

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)[N+]2=C(C=C(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

CC1=CC=C(C=C1)[N+]2=C(C=C(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/C36H28N.CHF3O3S/c1-27-22-24-32(25-23-27)37-34(29-16-8-3-9-17-29)26-33(28-14-6-2-7-15-28)35(30-18-10-4-11-19-30)36(37)31-20-12-5-13-21-31;2-1(3,4)8(5,6)7/h2-26H,1H3;(H,5,6,7)/q+1;/p-1