[1-[2-azanylethoxy(oxidanyl)phosphoryl]oxy-3-tetradecanoyloxy-propan-2-yl] henicosanoate

Systemtic Name: [1-[2-azanylethoxy(oxidanyl)phosphoryl]oxy-3-tetradecanoyloxy-propan-2-yl] henicosanoate Openeye Name: [1-[[2-aminoethoxy(hydroxy)phosphoryl]oxymethyl]-2-tetradecanoyloxy-ethyl] henicosanoate CAS Name: heneicosanoic acid [1-[2-aminoethoxy(hydroxy)phosphoryl]oxy-3-(1-oxotetradecoxy)propan-2-yl] ester IUPAC Name: [1-[2-aminoethoxy(hydroxy)phosphoryl]oxy-3-tetradecanoyloxypropan-2-yl] henicosanoate Traditional Name: heneicosanoic acid [1-[[2-aminoethoxy(hydroxy)phosphoryl]oxymethyl]-2-tetradecanoyloxy-ethyl] ester Formula: C40H80NO8P MolecularWeight: 734.038861

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCCCC)COP(=O)(O)OCCN

Isomeric SMILES

CCCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCCCC)COP(=O)(O)OCCN

InChI

InChI=1S/C40H80NO8P/c1-3-5-7-9-11-13-15-16-17-18-19-20-21-23-25-27-29-31-33-40(43)49-38(37-48-50(44,45)47-35-34-41)36-46-39(42)32-30-28-26-24-22-14-12-10-8-6-4-2/h38H,3-37,41H2,1-2H3,(H,44,45)