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

Systemtic Name: [3-[2-azanylethoxy(oxidanyl)phosphoryl]oxy-2-hexadecanoyloxy-propyl] henicosanoate Openeye Name: [3-[2-aminoethoxy(hydroxy)phosphoryl]oxy-2-hexadecanoyloxy-propyl] henicosanoate CAS Name: heneicosanoic acid [3-[2-aminoethoxy(hydroxy)phosphoryl]oxy-2-(1-oxohexadecoxy)propyl] ester IUPAC Name: [3-[2-aminoethoxy(hydroxy)phosphoryl]oxy-2-hexadecanoyloxypropyl] henicosanoate Traditional Name: heneicosanoic acid [3-[2-aminoethoxy(hydroxy)phosphoryl]oxy-2-hexadecanoyloxy-propyl] ester Formula: C42H84NO8P MolecularWeight: 762.092021

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C42H84NO8P/c1-3-5-7-9-11-13-15-17-18-19-20-21-23-24-26-28-30-32-34-41(44)48-38-40(39-50-52(46,47)49-37-36-43)51-42(45)35-33-31-29-27-25-22-16-14-12-10-8-6-4-2/h40H,3-39,43H2,1-2H3,(H,46,47)