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

Systemtic Name: [3-[2-azanylethoxy(oxidanyl)phosphoryl]oxy-2-tetracosanoyloxy-propyl] hexacosanoate Openeye Name: [3-[2-aminoethoxy(hydroxy)phosphoryl]oxy-2-tetracosanoyloxy-propyl] hexacosanoate CAS Name: hexacosanoic acid [3-[2-aminoethoxy(hydroxy)phosphoryl]oxy-2-(1-oxotetracosoxy)propyl] ester IUPAC Name: [3-[2-aminoethoxy(hydroxy)phosphoryl]oxy-2-tetracosanoyloxypropyl] hexacosanoate Traditional Name: cerotic acid [3-[2-aminoethoxy(hydroxy)phosphoryl]oxy-2-tetracosanoyloxy-propyl] ester Formula: C55H110NO8P MolecularWeight: 944.437561

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C55H110NO8P/c1-3-5-7-9-11-13-15-17-19-21-23-25-26-28-29-31-33-35-37-39-41-43-45-47-54(57)61-51-53(52-63-65(59,60)62-50-49-56)64-55(58)48-46-44-42-40-38-36-34-32-30-27-24-22-20-18-16-14-12-10-8-6-4-2/h53H,3-52,56H2,1-2H3,(H,59,60)