1-octyl-2,4,6-triphenyl-pyridin-1-ium; tris(fluoranyl)methanesulfonate

Systemtic Name: 1-octyl-2,4,6-triphenyl-pyridin-1-ium; tris(fluoranyl)methanesulfonate Openeye Name: 1-octyl-2,4,6-triphenyl-pyridin-1-ium; trifluoromethanesulfonate CAS Name: 1-octyl-2,4,6-triphenylpyridin-1-ium; trifluoromethanesulfonate IUPAC Name: 1-octyl-2,4,6-triphenylpyridin-1-ium; trifluoromethanesulfonate Traditional Name: 1-octyl-2,4,6-triphenyl-pyridin-1-ium triflate Formula: C32H34F3NO3S MolecularWeight: 569.67747

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C31H34N.CHF3O3S/c1-2-3-4-5-6-16-23-32-30(27-19-12-8-13-20-27)24-29(26-17-10-7-11-18-26)25-31(32)28-21-14-9-15-22-28;2-1(3,4)8(5,6)7/h7-15,17-22,24-25H,2-6,16,23H2,1H3;(H,5,6,7)/q+1;/p-1