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

Systemtic Name: 1-octyl-2,4,6-triphenyl-pyridin-1-ium; 2,2,2-tris(fluoranyl)ethanoate Openeye Name: 1-octyl-2,4,6-triphenyl-pyridin-1-ium; 2,2,2-trifluoroacetate CAS Name: 1-octyl-2,4,6-triphenylpyridin-1-ium; 2,2,2-trifluoroacetate IUPAC Name: 1-octyl-2,4,6-triphenylpyridin-1-ium; 2,2,2-trifluoroacetate Traditional Name: 1-octyl-2,4,6-triphenyl-pyridin-1-ium; 2,2,2-trifluoroacetate Formula: C33H34F3NO2 MolecularWeight: 533.62377

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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(=O)(C(F)(F)F)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C31H34N.C2HF3O2/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;3-2(4,5)1(6)7/h7-15,17-22,24-25H,2-6,16,23H2,1H3;(H,6,7)/q+1;/p-1