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

Systemtic Name: [1-[2-azanylethoxy(oxidanyl)phosphoryl]oxy-3-henicosanoyloxy-propan-2-yl] pentacosanoate Openeye Name: [1-[[2-aminoethoxy(hydroxy)phosphoryl]oxymethyl]-2-henicosanoyloxy-ethyl] pentacosanoate CAS Name: pentacosanoic 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] pentacosanoate Traditional Name: pentacosanoic acid [1-[[2-aminoethoxy(hydroxy)phosphoryl]oxymethyl]-2-heneicosanoyloxy-ethyl] ester Formula: C51H102NO8P MolecularWeight: 888.331241

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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