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

Systemtic Name: [3-[2-azanylethoxy(oxidanyl)phosphoryl]oxy-2-henicosanoyloxy-propyl] tricosanoate Openeye Name: [3-[2-aminoethoxy(hydroxy)phosphoryl]oxy-2-henicosanoyloxy-propyl] tricosanoate CAS Name: tricosanoic acid [3-[2-aminoethoxy(hydroxy)phosphoryl]oxy-2-(1-oxoheneicosoxy)propyl] ester IUPAC Name: [3-[2-aminoethoxy(hydroxy)phosphoryl]oxy-2-henicosanoyloxypropyl] tricosanoate Traditional Name: tricosanoic acid [3-[2-aminoethoxy(hydroxy)phosphoryl]oxy-2-heneicosanoyloxy-propyl] ester Formula: C49H98NO8P MolecularWeight: 860.278081

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C49H98NO8P/c1-3-5-7-9-11-13-15-17-19-21-23-24-26-27-29-31-33-35-37-39-41-48(51)55-45-47(46-57-59(53,54)56-44-43-50)58-49(52)42-40-38-36-34-32-30-28-25-22-20-18-16-14-12-10-8-6-4-2/h47H,3-46,50H2,1-2H3,(H,53,54)