[1-[2-azanylethoxy(oxidanyl)phosphoryl]oxy-3-octadecanoyloxy-propan-2-yl] henicosanoate

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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