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

Systemtic Name: [3-[2-azanylethoxy(oxidanyl)phosphoryl]oxy-2-tricosanoyloxy-propyl] hexacosanoate Openeye Name: [3-[2-aminoethoxy(hydroxy)phosphoryl]oxy-2-tricosanoyloxy-propyl] hexacosanoate CAS Name: hexacosanoic acid [3-[2-aminoethoxy(hydroxy)phosphoryl]oxy-2-(1-oxotricosoxy)propyl] ester IUPAC Name: [3-[2-aminoethoxy(hydroxy)phosphoryl]oxy-2-tricosanoyloxypropyl] hexacosanoate Traditional Name: cerotic acid [3-[2-aminoethoxy(hydroxy)phosphoryl]oxy-2-tricosanoyloxy-propyl] ester Formula: C54H108NO8P MolecularWeight: 930.410981

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C54H108NO8P/c1-3-5-7-9-11-13-15-17-19-21-23-25-26-27-29-30-32-34-36-38-40-42-44-46-53(56)60-50-52(51-62-64(58,59)61-49-48-55)63-54(57)47-45-43-41-39-37-35-33-31-28-24-22-20-18-16-14-12-10-8-6-4-2/h52H,3-51,55H2,1-2H3,(H,58,59)