[1-[2-azanylethoxy(oxidanyl)phosphoryl]oxy-3-pentacosanoyloxy-propan-2-yl] hexacosanoate

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C56H112NO8P/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)65-54(53-64-66(60,61)63-51-50-57)52-62-55(58)48-46-44-42-40-38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h54H,3-53,57H2,1-2H3,(H,60,61)