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

Systemtic Name: 1-hexyl-2,4,6-triphenyl-pyridin-1-ium; tris(fluoranyl)methanesulfonate Openeye Name: 1-hexyl-2,4,6-triphenyl-pyridin-1-ium; trifluoromethanesulfonate CAS Name: 1-hexyl-2,4,6-triphenylpyridin-1-ium; trifluoromethanesulfonate IUPAC Name: 1-hexyl-2,4,6-triphenylpyridin-1-ium; trifluoromethanesulfonate Traditional Name: 1-hexyl-2,4,6-triphenyl-pyridin-1-ium triflate Formula: C30H30F3NO3S MolecularWeight: 541.62431

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC[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

CCCCCC[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/C29H30N.CHF3O3S/c1-2-3-4-14-21-30-28(25-17-10-6-11-18-25)22-27(24-15-8-5-9-16-24)23-29(30)26-19-12-7-13-20-26;2-1(3,4)8(5,6)7/h5-13,15-20,22-23H,2-4,14,21H2,1H3;(H,5,6,7)/q+1;/p-1