[2-hexadecanoyloxy-4-[2-(2,4,6-trimethylpyridin-1-ium-1-yl)ethyl]phenyl] hexadecanoate

Systemtic Name: [2-hexadecanoyloxy-4-[2-(2,4,6-trimethylpyridin-1-ium-1-yl)ethyl]phenyl] hexadecanoate Openeye Name: [2-hexadecanoyloxy-4-[2-(2,4,6-trimethylpyridin-1-ium-1-yl)ethyl]phenyl] hexadecanoate CAS Name: hexadecanoic acid [2-(1-oxohexadecoxy)-4-[2-(2,4,6-trimethyl-1-pyridin-1-iumyl)ethyl]phenyl] ester IUPAC Name: [2-hexadecanoyloxy-4-[2-(2,4,6-trimethylpyridin-1-ium-1-yl)ethyl]phenyl] hexadecanoate Traditional Name: palmitic acid [2-hexadecanoyloxy-4-[2-(2,4,6-trimethylpyridin-1-ium-1-yl)ethyl]phenyl] ester Formula: C48H80NO4+ MolecularWeight: 735.1531

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCC(=O)OC1=C(C=C(C=C1)CC[N+]2=C(C=C(C=C2C)C)C)OC(=O)CCCCCCCCCCCCCCC

Isomeric SMILES

CCCCCCCCCCCCCCCC(=O)OC1=C(C=C(C=C1)CC[N+]2=C(C=C(C=C2C)C)C)OC(=O)CCCCCCCCCCCCCCC

InChI

InChI=1S/C48H80NO4/c1-6-8-10-12-14-16-18-20-22-24-26-28-30-32-47(50)52-45-35-34-44(36-37-49-42(4)38-41(3)39-43(49)5)40-46(45)53-48(51)33-31-29-27-25-23-21-19-17-15-13-11-9-7-2/h34-35,38-40H,6-33,36-37H2,1-5H3/q+1