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

Systemtic Name: [3-[2-azanylethoxy(oxidanyl)phosphoryl]oxy-2-docosanoyloxy-propyl] tetracosanoate Openeye Name: [3-[2-aminoethoxy(hydroxy)phosphoryl]oxy-2-docosanoyloxy-propyl] tetracosanoate CAS Name: tetracosanoic acid [3-[2-aminoethoxy(hydroxy)phosphoryl]oxy-2-(1-oxodocosoxy)propyl] ester IUPAC Name: [3-[2-aminoethoxy(hydroxy)phosphoryl]oxy-2-docosanoyloxypropyl] tetracosanoate Traditional Name: lignoceric acid [3-[2-aminoethoxy(hydroxy)phosphoryl]oxy-2-docosanoyloxy-propyl] ester Formula: C51H102NO8P MolecularWeight: 888.331241

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C51H102NO8P/c1-3-5-7-9-11-13-15-17-19-21-23-24-26-27-29-31-33-35-37-39-41-43-50(53)57-47-49(48-59-61(55,56)58-46-45-52)60-51(54)44-42-40-38-36-34-32-30-28-25-22-20-18-16-14-12-10-8-6-4-2/h49H,3-48,52H2,1-2H3,(H,55,56)