[2-hexadecanoyloxy-3-[2-[(4-methoxy-2-oxidanylidene-butanoyl)amino]ethoxy-oxidanyl-phosphoryl]oxy-propyl] hexadecanoate

Systemtic Name: [2-hexadecanoyloxy-3-[2-[(4-methoxy-2-oxidanylidene-butanoyl)amino]ethoxy-oxidanyl-phosphoryl]oxy-propyl] hexadecanoate Openeye Name: [2-hexadecanoyloxy-3-[hydroxy-[2-[(4-methoxy-2-oxo-butanoyl)amino]ethoxy]phosphoryl]oxy-propyl] hexadecanoate CAS Name: hexadecanoic acid [3-[hydroxy-[2-[(4-methoxy-1,2-dioxobutyl)amino]ethoxy]phosphoryl]oxy-2-(1-oxohexadecoxy)propyl] ester IUPAC Name: [2-hexadecanoyloxy-3-[hydroxy-[2-[(4-methoxy-2-oxobutanoyl)amino]ethoxy]phosphoryl]oxypropyl] hexadecanoate Traditional Name: palmitic acid [2-hexadecanoyloxy-3-[hydroxy-[2-[(2-keto-4-methoxy-butanoyl)amino]ethoxy]phosphoryl]oxy-propyl] ester Formula: C42H80NO11P MolecularWeight: 806.058461

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCC(=O)OCC(COP(=O)(O)OCCNC(=O)C(=O)CCOC)OC(=O)CCCCCCCCCCCCCCC

Isomeric SMILES

CCCCCCCCCCCCCCCC(=O)OCC(COP(=O)(O)OCCNC(=O)C(=O)CCOC)OC(=O)CCCCCCCCCCCCCCC

InChI

InChI=1S/C42H80NO11P/c1-4-6-8-10-12-14-16-18-20-22-24-26-28-30-40(45)51-36-38(37-53-55(48,49)52-35-33-43-42(47)39(44)32-34-50-3)54-41(46)31-29-27-25-23-21-19-17-15-13-11-9-7-5-2/h38H,4-37H2,1-3H3,(H,43,47)(H,48,49)