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

Systemtic Name: [3-[2-azanylethoxy(oxidanyl)phosphoryl]oxy-2-pentacosanoyloxy-propyl] hexacosanoate Openeye Name: [3-[2-aminoethoxy(hydroxy)phosphoryl]oxy-2-pentacosanoyloxy-propyl] hexacosanoate CAS Name: hexacosanoic acid [3-[2-aminoethoxy(hydroxy)phosphoryl]oxy-2-(1-oxopentacosoxy)propyl] ester IUPAC Name: [3-[2-aminoethoxy(hydroxy)phosphoryl]oxy-2-pentacosanoyloxypropyl] hexacosanoate Traditional Name: cerotic acid [3-[2-aminoethoxy(hydroxy)phosphoryl]oxy-2-pentacosanoyloxy-propyl] ester Formula: C56H112NO8P MolecularWeight: 958.464141

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C56H112NO8P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-30-32-34-36-38-40-42-44-46-48-55(58)62-52-54(53-64-66(60,61)63-51-50-57)65-56(59)49-47-45-43-41-39-37-35-33-31-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h54H,3-53,57H2,1-2H3,(H,60,61)