[3-[2-azanylethoxy(oxidanyl)phosphoryl]oxy-2-octadecanoyloxy-propyl] tetracosanoate

Systemtic Name: [3-[2-azanylethoxy(oxidanyl)phosphoryl]oxy-2-octadecanoyloxy-propyl] tetracosanoate Openeye Name: [3-[2-aminoethoxy(hydroxy)phosphoryl]oxy-2-octadecanoyloxy-propyl] tetracosanoate CAS Name: tetracosanoic acid [3-[2-aminoethoxy(hydroxy)phosphoryl]oxy-2-(1-oxooctadecoxy)propyl] ester IUPAC Name: [3-[2-aminoethoxy(hydroxy)phosphoryl]oxy-2-octadecanoyloxypropyl] tetracosanoate Traditional Name: lignoceric acid [3-[2-aminoethoxy(hydroxy)phosphoryl]oxy-2-stearoyloxy-propyl] ester Formula: C47H94NO8P MolecularWeight: 832.224921

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COP(=O)(O)OCCN)OC(=O)CCCCCCCCCCCCCCCCC

Isomeric SMILES

CCCCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COP(=O)(O)OCCN)OC(=O)CCCCCCCCCCCCCCCCC

InChI

InChI=1S/C47H94NO8P/c1-3-5-7-9-11-13-15-17-19-20-21-22-23-24-26-27-29-31-33-35-37-39-46(49)53-43-45(44-55-57(51,52)54-42-41-48)56-47(50)40-38-36-34-32-30-28-25-18-16-14-12-10-8-6-4-2/h45H,3-44,48H2,1-2H3,(H,51,52)