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

Systemtic Name: [3-[2-azanylethoxy(oxidanyl)phosphoryl]oxy-2-henicosanoyloxy-propyl] tetracosanoate Openeye Name: [3-[2-aminoethoxy(hydroxy)phosphoryl]oxy-2-henicosanoyloxy-propyl] tetracosanoate CAS Name: tetracosanoic acid [3-[2-aminoethoxy(hydroxy)phosphoryl]oxy-2-(1-oxoheneicosoxy)propyl] ester IUPAC Name: [3-[2-aminoethoxy(hydroxy)phosphoryl]oxy-2-henicosanoyloxypropyl] tetracosanoate Traditional Name: lignoceric acid [3-[2-aminoethoxy(hydroxy)phosphoryl]oxy-2-heneicosanoyloxy-propyl] ester Formula: C50H100NO8P MolecularWeight: 874.304661

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C50H100NO8P/c1-3-5-7-9-11-13-15-17-19-21-23-24-25-27-28-30-32-34-36-38-40-42-49(52)56-46-48(47-58-60(54,55)57-45-44-51)59-50(53)43-41-39-37-35-33-31-29-26-22-20-18-16-14-12-10-8-6-4-2/h48H,3-47,51H2,1-2H3,(H,54,55)