[3-[2-azanylethoxy(oxidanyl)phosphoryl]oxy-2-octadecanoyloxy-propyl] henicosanoate

Systemtic Name: [3-[2-azanylethoxy(oxidanyl)phosphoryl]oxy-2-octadecanoyloxy-propyl] henicosanoate Openeye Name: [3-[2-aminoethoxy(hydroxy)phosphoryl]oxy-2-octadecanoyloxy-propyl] henicosanoate CAS Name: heneicosanoic acid [3-[2-aminoethoxy(hydroxy)phosphoryl]oxy-2-(1-oxooctadecoxy)propyl] ester IUPAC Name: [3-[2-aminoethoxy(hydroxy)phosphoryl]oxy-2-octadecanoyloxypropyl] henicosanoate Traditional Name: heneicosanoic acid [3-[2-aminoethoxy(hydroxy)phosphoryl]oxy-2-stearoyloxy-propyl] ester Formula: C44H88NO8P MolecularWeight: 790.145181

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCCCC(=O)OCC(COP(=O)(O)OCCN)OC(=O)CCCCCCCCCCCCCCCCC

Isomeric SMILES

CCCCCCCCCCCCCCCCCCCCC(=O)OCC(COP(=O)(O)OCCN)OC(=O)CCCCCCCCCCCCCCCCC

InChI

InChI=1S/C44H88NO8P/c1-3-5-7-9-11-13-15-17-19-20-21-23-24-26-28-30-32-34-36-43(46)50-40-42(41-52-54(48,49)51-39-38-45)53-44(47)37-35-33-31-29-27-25-22-18-16-14-12-10-8-6-4-2/h42H,3-41,45H2,1-2H3,(H,48,49)