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

Systemtic Name: 1-(4-methoxyphenyl)-2,3,4,6-tetraphenyl-pyridin-1-ium; tris(fluoranyl)methanesulfonate Openeye Name: 1-(4-methoxyphenyl)-2,3,4,6-tetraphenyl-pyridin-1-ium; trifluoromethanesulfonate CAS Name: 1-(4-methoxyphenyl)-2,3,4,6-tetraphenylpyridin-1-ium; trifluoromethanesulfonate IUPAC Name: 1-(4-methoxyphenyl)-2,3,4,6-tetraphenylpyridin-1-ium; trifluoromethanesulfonate Traditional Name: 1-(4-methoxyphenyl)-2,3,4,6-tetraphenyl-pyridin-1-ium triflate Formula: C37H28F3NO4S MolecularWeight: 639.68273

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Descriptors Computed from Structure

Canonical SMILES:

COC1=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

COC1=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/C36H28NO.CHF3O3S/c1-38-32-24-22-31(23-25-32)37-34(28-16-8-3-9-17-28)26-33(27-14-6-2-7-15-27)35(29-18-10-4-11-19-29)36(37)30-20-12-5-13-21-30;2-1(3,4)8(5,6)7/h2-26H,1H3;(H,5,6,7)/q+1;/p-1