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

Systemtic Name: 1-methyl-2,3,4,6-tetraphenyl-pyridin-1-ium; tris(fluoranyl)methanesulfonate Openeye Name: 1-methyl-2,3,4,6-tetraphenyl-pyridin-1-ium; trifluoromethanesulfonate CAS Name: 1-methyl-2,3,4,6-tetraphenylpyridin-1-ium; trifluoromethanesulfonate IUPAC Name: 1-methyl-2,3,4,6-tetraphenylpyridin-1-ium; trifluoromethanesulfonate Traditional Name: 1-methyl-2,3,4,6-tetraphenyl-pyridin-1-ium triflate Formula: C31H24F3NO3S MolecularWeight: 547.58737

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=C(C=C(C(=C1C2=CC=CC=C2)C3=CC=CC=C3)C4=CC=CC=C4)C5=CC=CC=C5.C(F)(F)(F)S(=O)(=O)[O-]

Isomeric SMILES

C[N+]1=C(C=C(C(=C1C2=CC=CC=C2)C3=CC=CC=C3)C4=CC=CC=C4)C5=CC=CC=C5.C(F)(F)(F)S(=O)(=O)[O-]

InChI

InChI=1S/C30H24N.CHF3O3S/c1-31-28(24-16-8-3-9-17-24)22-27(23-14-6-2-7-15-23)29(25-18-10-4-11-19-25)30(31)26-20-12-5-13-21-26;2-1(3,4)8(5,6)7/h2-22H,1H3;(H,5,6,7)/q+1;/p-1