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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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