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

Systemtic Name: [3-[2-azanylethoxy(oxidanyl)phosphoryl]oxy-2-henicosanoyloxy-propyl] hexacosanoate Openeye Name: [3-[2-aminoethoxy(hydroxy)phosphoryl]oxy-2-henicosanoyloxy-propyl] hexacosanoate CAS Name: hexacosanoic acid [3-[2-aminoethoxy(hydroxy)phosphoryl]oxy-2-(1-oxoheneicosoxy)propyl] ester IUPAC Name: [3-[2-aminoethoxy(hydroxy)phosphoryl]oxy-2-henicosanoyloxypropyl] hexacosanoate Traditional Name: cerotic acid [3-[2-aminoethoxy(hydroxy)phosphoryl]oxy-2-heneicosanoyloxy-propyl] ester Formula: C52H104NO8P MolecularWeight: 902.357821

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C52H104NO8P/c1-3-5-7-9-11-13-15-17-19-21-23-24-25-26-27-29-30-32-34-36-38-40-42-44-51(54)58-48-50(49-60-62(56,57)59-47-46-53)61-52(55)45-43-41-39-37-35-33-31-28-22-20-18-16-14-12-10-8-6-4-2/h50H,3-49,53H2,1-2H3,(H,56,57)