[3-[2-azanylethoxy(oxidanyl)phosphoryl]oxy-2-heptadecanoyloxy-propyl] henicosanoate

Systemtic Name: [3-[2-azanylethoxy(oxidanyl)phosphoryl]oxy-2-heptadecanoyloxy-propyl] henicosanoate Openeye Name: [3-[2-aminoethoxy(hydroxy)phosphoryl]oxy-2-heptadecanoyloxy-propyl] henicosanoate CAS Name: heneicosanoic acid [3-[2-aminoethoxy(hydroxy)phosphoryl]oxy-2-(1-oxoheptadecoxy)propyl] ester IUPAC Name: [3-[2-aminoethoxy(hydroxy)phosphoryl]oxy-2-heptadecanoyloxypropyl] henicosanoate Traditional Name: heneicosanoic acid [3-[2-aminoethoxy(hydroxy)phosphoryl]oxy-2-heptadecanoyloxy-propyl] ester Formula: C43H86NO8P MolecularWeight: 776.118601

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C43H86NO8P/c1-3-5-7-9-11-13-15-17-19-20-21-22-24-25-27-29-31-33-35-42(45)49-39-41(40-51-53(47,48)50-38-37-44)52-43(46)36-34-32-30-28-26-23-18-16-14-12-10-8-6-4-2/h41H,3-40,44H2,1-2H3,(H,47,48)