[3-[2-azanylethoxy(oxidanyl)phosphoryl]oxy-2-hexacosanoyloxy-propyl] hexacosanoate

Systemtic Name: [3-[2-azanylethoxy(oxidanyl)phosphoryl]oxy-2-hexacosanoyloxy-propyl] hexacosanoate Openeye Name: [3-[2-aminoethoxy(hydroxy)phosphoryl]oxy-2-hexacosanoyloxy-propyl] hexacosanoate CAS Name: hexacosanoic acid [3-[2-aminoethoxy(hydroxy)phosphoryl]oxy-2-(1-oxohexacosoxy)propyl] ester IUPAC Name: [3-[2-aminoethoxy(hydroxy)phosphoryl]oxy-2-hexacosanoyloxypropyl] hexacosanoate Traditional Name: cerotic acid [3-[2-aminoethoxy(hydroxy)phosphoryl]oxy-2-hexacosanoyloxy-propyl] ester Formula: C57H114NO8P MolecularWeight: 972.490721

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COP(=O)(O)OCCN)OC(=O)CCCCCCCCCCCCCCCCCCCCCCCCC

Isomeric SMILES

CCCCCCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COP(=O)(O)OCCN)OC(=O)CCCCCCCCCCCCCCCCCCCCCCCCC

InChI

InChI=1S/C57H114NO8P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-39-41-43-45-47-49-56(59)63-53-55(54-65-67(61,62)64-52-51-58)66-57(60)50-48-46-44-42-40-38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h55H,3-54,58H2,1-2H3,(H,61,62)