1-octyl-2,4-diphenyl-5,6-dihydrobenzo[h]quinolin-1-ium; tris(fluoranyl)methanesulfonate

Systemtic Name: 1-octyl-2,4-diphenyl-5,6-dihydrobenzo[h]quinolin-1-ium; tris(fluoranyl)methanesulfonate Openeye Name: 1-octyl-2,4-diphenyl-5,6-dihydrobenzo[h]quinolin-1-ium; trifluoromethanesulfonate CAS Name: 1-octyl-2,4-diphenyl-5,6-dihydrobenzo[h]quinolin-1-ium; trifluoromethanesulfonate IUPAC Name: 1-octyl-2,4-diphenyl-5,6-dihydrobenzo[h]quinolin-1-ium; trifluoromethanesulfonate Traditional Name: 1-octyl-2,4-diphenyl-5,6-dihydrobenzo[h]quinolin-1-ium triflate Formula: C34H36F3NO3S MolecularWeight: 595.71475

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC[N+]1=C(C=C(C2=C1C3=CC=CC=C3CC2)C4=CC=CC=C4)C5=CC=CC=C5.C(F)(F)(F)S(=O)(=O)[O-]

Isomeric SMILES

CCCCCCCC[N+]1=C(C=C(C2=C1C3=CC=CC=C3CC2)C4=CC=CC=C4)C5=CC=CC=C5.C(F)(F)(F)S(=O)(=O)[O-]

InChI

InChI=1S/C33H36N.CHF3O3S/c1-2-3-4-5-6-15-24-34-32(28-19-11-8-12-20-28)25-31(26-16-9-7-10-17-26)30-23-22-27-18-13-14-21-29(27)33(30)34;2-1(3,4)8(5,6)7/h7-14,16-21,25H,2-6,15,22-24H2,1H3;(H,5,6,7)/q+1;/p-1