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

Systemtic Name: [3-hexadecanoyloxy-2-(2,4,6-triphenylpyridin-1-ium-1-yl)propyl] hexadecanoate perchlorate Openeye Name: [3-hexadecanoyloxy-2-(2,4,6-triphenylpyridin-1-ium-1-yl)propyl] hexadecanoate perchlorate CAS Name: hexadecanoic acid [3-(1-oxohexadecoxy)-2-(2,4,6-triphenyl-1-pyridin-1-iumyl)propyl] ester perchlorate IUPAC Name: [3-hexadecanoyloxy-2-(2,4,6-triphenylpyridin-1-ium-1-yl)propyl] hexadecanoate perchlorate Traditional Name: palmitic acid [3-hexadecanoyloxy-2-(2,4,6-triphenylpyridin-1-ium-1-yl)propyl] ester perchlorate Formula: C58H84ClNO8 MolecularWeight: 958.74246

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCCC)[N+]1=C(C=C(C=C1C2=CC=CC=C2)C3=CC=CC=C3)C4=CC=CC=C4.[O-]Cl(=O)(=O)=O

Isomeric SMILES

CCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCCC)[N+]1=C(C=C(C=C1C2=CC=CC=C2)C3=CC=CC=C3)C4=CC=CC=C4.[O-]Cl(=O)(=O)=O

InChI

InChI=1S/C58H84NO4.ClHO4/c1-3-5-7-9-11-13-15-17-19-21-23-25-36-44-57(60)62-48-54(49-63-58(61)45-37-26-24-22-20-18-16-14-12-10-8-6-4-2)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;2-1(3,4)5/h27-35,38-43,46-47,54H,3-26,36-37,44-45,48-49H2,1-2H3;(H,2,3,4,5)/q+1;/p-1