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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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