[3-[2-azanylethoxy(oxidanyl)phosphoryl]oxy-2-nonadecanoyloxy-propyl] docosanoate

Systemtic Name: [3-[2-azanylethoxy(oxidanyl)phosphoryl]oxy-2-nonadecanoyloxy-propyl] docosanoate Openeye Name: [3-[2-aminoethoxy(hydroxy)phosphoryl]oxy-2-nonadecanoyloxy-propyl] docosanoate CAS Name: docosanoic acid [3-[2-aminoethoxy(hydroxy)phosphoryl]oxy-2-(1-oxononadecoxy)propyl] ester IUPAC Name: [3-[2-aminoethoxy(hydroxy)phosphoryl]oxy-2-nonadecanoyloxypropyl] docosanoate Traditional Name: behenic acid [3-[2-aminoethoxy(hydroxy)phosphoryl]oxy-2-nonadecanoyloxy-propyl] ester Formula: C46H92NO8P MolecularWeight: 818.198341

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COP(=O)(O)OCCN)OC(=O)CCCCCCCCCCCCCCCCCC

Isomeric SMILES

CCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COP(=O)(O)OCCN)OC(=O)CCCCCCCCCCCCCCCCCC

InChI

InChI=1S/C46H92NO8P/c1-3-5-7-9-11-13-15-17-19-21-22-23-25-26-28-30-32-34-36-38-45(48)52-42-44(43-54-56(50,51)53-41-40-47)55-46(49)39-37-35-33-31-29-27-24-20-18-16-14-12-10-8-6-4-2/h44H,3-43,47H2,1-2H3,(H,50,51)