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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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