[2-hexadecanoyloxy-3-[oxidanyl-[2-(12-oxidanylidenedodecanoylamino)ethoxy]phosphoryl]oxy-propyl] hexadecanoate

Systemtic Name: [2-hexadecanoyloxy-3-[oxidanyl-[2-(12-oxidanylidenedodecanoylamino)ethoxy]phosphoryl]oxy-propyl] hexadecanoate Openeye Name: [2-hexadecanoyloxy-3-[hydroxy-[2-(12-oxododecanoylamino)ethoxy]phosphoryl]oxy-propyl] hexadecanoate CAS Name: hexadecanoic acid [3-[2-(1,12-dioxododecylamino)ethoxy-hydroxyphosphoryl]oxy-2-(1-oxohexadecoxy)propyl] ester IUPAC Name: [2-hexadecanoyloxy-3-[hydroxy-[2-(12-oxododecanoylamino)ethoxy]phosphoryl]oxypropyl] hexadecanoate Traditional Name: palmitic acid [2-hexadecanoyloxy-3-[hydroxy-[2-(12-ketododecanoylamino)ethoxy]phosphoryl]oxy-propyl] ester Formula: C49H94NO10P MolecularWeight: 888.245121

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCC(=O)OCC(COP(=O)(O)OCCNC(=O)CCCCCCCCCCC=O)OC(=O)CCCCCCCCCCCCCCC

Isomeric SMILES

CCCCCCCCCCCCCCCC(=O)OCC(COP(=O)(O)OCCNC(=O)CCCCCCCCCCC=O)OC(=O)CCCCCCCCCCCCCCC

InChI

InChI=1S/C49H94NO10P/c1-3-5-7-9-11-13-15-17-19-23-27-31-35-39-48(53)57-44-46(60-49(54)40-36-32-28-24-20-18-16-14-12-10-8-6-4-2)45-59-61(55,56)58-43-41-50-47(52)38-34-30-26-22-21-25-29-33-37-42-51/h42,46H,3-41,43-45H2,1-2H3,(H,50,52)(H,55,56)