[2-hexadecanoyloxy-3-(2,4,6-triphenylpyridin-1-ium-1-yl)propyl] hexadecanoate

Systemtic Name: [2-hexadecanoyloxy-3-(2,4,6-triphenylpyridin-1-ium-1-yl)propyl] hexadecanoate Openeye Name: [2-hexadecanoyloxy-3-(2,4,6-triphenylpyridin-1-ium-1-yl)propyl] hexadecanoate CAS Name: hexadecanoic acid [2-(1-oxohexadecoxy)-3-(2,4,6-triphenyl-1-pyridin-1-iumyl)propyl] ester IUPAC Name: [2-hexadecanoyloxy-3-(2,4,6-triphenylpyridin-1-ium-1-yl)propyl] hexadecanoate Traditional Name: palmitic acid [2-hexadecanoyloxy-3-(2,4,6-triphenylpyridin-1-ium-1-yl)propyl] ester Formula: C58H84NO4+ MolecularWeight: 859.29186

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCC(=O)OCC(C[N+]1=C(C=C(C=C1C2=CC=CC=C2)C3=CC=CC=C3)C4=CC=CC=C4)OC(=O)CCCCCCCCCCCCCCC

Isomeric SMILES

CCCCCCCCCCCCCCCC(=O)OCC(C[N+]1=C(C=C(C=C1C2=CC=CC=C2)C3=CC=CC=C3)C4=CC=CC=C4)OC(=O)CCCCCCCCCCCCCCC

InChI

InChI=1S/C58H84NO4/c1-3-5-7-9-11-13-15-17-19-21-23-25-36-44-57(60)62-49-54(63-58(61)45-37-26-24-22-20-18-16-14-12-10-8-6-4-2)48-59-55(51-40-32-28-33-41-51)46-53(50-38-30-27-31-39-50)47-56(59)52-42-34-29-35-43-52/h27-35,38-43,46-47,54H,3-26,36-37,44-45,48-49H2,1-2H3/q+1