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

Systemtic Name: [3-[2-azanylethoxy(oxidanyl)phosphoryl]oxy-2-henicosanoyloxy-propyl] docosanoate Openeye Name: [3-[2-aminoethoxy(hydroxy)phosphoryl]oxy-2-henicosanoyloxy-propyl] docosanoate CAS Name: docosanoic acid [3-[2-aminoethoxy(hydroxy)phosphoryl]oxy-2-(1-oxoheneicosoxy)propyl] ester IUPAC Name: [3-[2-aminoethoxy(hydroxy)phosphoryl]oxy-2-henicosanoyloxypropyl] docosanoate Traditional Name: behenic acid [3-[2-aminoethoxy(hydroxy)phosphoryl]oxy-2-heneicosanoyloxy-propyl] ester Formula: C48H96NO8P MolecularWeight: 846.251501

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C48H96NO8P/c1-3-5-7-9-11-13-15-17-19-21-23-25-26-28-30-32-34-36-38-40-47(50)54-44-46(45-56-58(52,53)55-43-42-49)57-48(51)41-39-37-35-33-31-29-27-24-22-20-18-16-14-12-10-8-6-4-2/h46H,3-45,49H2,1-2H3,(H,52,53)