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

Systemtic Name: [1-[2-azanylethoxy(oxidanyl)phosphoryl]oxy-3-octadecanoyloxy-propan-2-yl] docosanoate Openeye Name: [1-[[2-aminoethoxy(hydroxy)phosphoryl]oxymethyl]-2-octadecanoyloxy-ethyl] docosanoate CAS Name: docosanoic 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] docosanoate Traditional Name: behenic acid [1-[[2-aminoethoxy(hydroxy)phosphoryl]oxymethyl]-2-stearoyloxy-ethyl] ester Formula: C45H90NO8P MolecularWeight: 804.171761

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C45H90NO8P/c1-3-5-7-9-11-13-15-17-19-20-21-22-24-26-28-30-32-34-36-38-45(48)54-43(42-53-55(49,50)52-40-39-46)41-51-44(47)37-35-33-31-29-27-25-23-18-16-14-12-10-8-6-4-2/h43H,3-42,46H2,1-2H3,(H,49,50)