[3-[2-azanylethoxy(oxidanyl)phosphoryl]oxy-2-docosanoyloxy-propyl] pentacosanoate

Systemtic Name: [3-[2-azanylethoxy(oxidanyl)phosphoryl]oxy-2-docosanoyloxy-propyl] pentacosanoate Openeye Name: [3-[2-aminoethoxy(hydroxy)phosphoryl]oxy-2-docosanoyloxy-propyl] pentacosanoate CAS Name: pentacosanoic acid [3-[2-aminoethoxy(hydroxy)phosphoryl]oxy-2-(1-oxodocosoxy)propyl] ester IUPAC Name: [3-[2-aminoethoxy(hydroxy)phosphoryl]oxy-2-docosanoyloxypropyl] pentacosanoate Traditional Name: pentacosanoic acid [3-[2-aminoethoxy(hydroxy)phosphoryl]oxy-2-docosanoyloxy-propyl] ester Formula: C52H104NO8P MolecularWeight: 902.357821

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COP(=O)(O)OCCN)OC(=O)CCCCCCCCCCCCCCCCCCCCC

Isomeric SMILES

CCCCCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COP(=O)(O)OCCN)OC(=O)CCCCCCCCCCCCCCCCCCCCC

InChI

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