1,2,3,4,6-pentakis-phenylpyridin-1-ium; tris(fluoranyl)methanesulfonate

Systemtic Name: 1,2,3,4,6-pentakis-phenylpyridin-1-ium; tris(fluoranyl)methanesulfonate Openeye Name: 1,2,3,4,6-pentakis-phenylpyridin-1-ium; trifluoromethanesulfonate CAS Name: 1,2,3,4,6-pentakis-phenylpyridin-1-ium; trifluoromethanesulfonate IUPAC Name: 1,2,3,4,6-pentakis-phenylpyridin-1-ium; trifluoromethanesulfonate Traditional Name: 1,2,3,4,6-pentakis-phenylpyridin-1-ium triflate Formula: C36H26F3NO3S MolecularWeight: 609.65675

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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)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)C6=CC=CC=C6.C(F)(F)(F)S(=O)(=O)[O-]

InChI

InChI=1S/C35H26N.CHF3O3S/c1-6-16-27(17-7-1)32-26-33(28-18-8-2-9-19-28)36(31-24-14-5-15-25-31)35(30-22-12-4-13-23-30)34(32)29-20-10-3-11-21-29;2-1(3,4)8(5,6)7/h1-26H;(H,5,6,7)/q+1;/p-1