1-butyl-2,4,9-triphenyl-5,6-dihydrobenzo[h]quinolin-1-ium; tris(fluoranyl)methanesulfonate

Systemtic Name: 1-butyl-2,4,9-triphenyl-5,6-dihydrobenzo[h]quinolin-1-ium; tris(fluoranyl)methanesulfonate Openeye Name: 1-butyl-2,4,9-triphenyl-5,6-dihydrobenzo[h]quinolin-1-ium; trifluoromethanesulfonate CAS Name: 1-butyl-2,4,9-triphenyl-5,6-dihydrobenzo[h]quinolin-1-ium; trifluoromethanesulfonate IUPAC Name: 1-butyl-2,4,9-triphenyl-5,6-dihydrobenzo[h]quinolin-1-ium; trifluoromethanesulfonate Traditional Name: 1-butyl-2,4,9-triphenyl-5,6-dihydrobenzo[h]quinolin-1-ium triflate Formula: C36H32F3NO3S MolecularWeight: 615.70439

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Descriptors Computed from Structure

Canonical SMILES:

CCCC[N+]1=C(C=C(C2=C1C3=C(CC2)C=CC(=C3)C4=CC=CC=C4)C5=CC=CC=C5)C6=CC=CC=C6.C(F)(F)(F)S(=O)(=O)[O-]

Isomeric SMILES

CCCC[N+]1=C(C=C(C2=C1C3=C(CC2)C=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/C35H32N.CHF3O3S/c1-2-3-23-36-34(29-17-11-6-12-18-29)25-32(27-15-9-5-10-16-27)31-22-21-28-19-20-30(24-33(28)35(31)36)26-13-7-4-8-14-26;2-1(3,4)8(5,6)7/h4-20,24-25H,2-3,21-23H2,1H3;(H,5,6,7)/q+1;/p-1