[2-octadecanoyloxy-3-[oxidanyl-[2-(3-oxidanylidenebutanoylamino)ethoxy]phosphoryl]oxy-propyl] octadecanoate

Systemtic Name: [2-octadecanoyloxy-3-[oxidanyl-[2-(3-oxidanylidenebutanoylamino)ethoxy]phosphoryl]oxy-propyl] octadecanoate Openeye Name: [3-[hydroxy-[2-(3-oxobutanoylamino)ethoxy]phosphoryl]oxy-2-octadecanoyloxy-propyl] octadecanoate CAS Name: octadecanoic acid [3-[2-(1,3-dioxobutylamino)ethoxy-hydroxyphosphoryl]oxy-2-(1-oxooctadecoxy)propyl] ester IUPAC Name: [3-[hydroxy-[2-(3-oxobutanoylamino)ethoxy]phosphoryl]oxy-2-octadecanoyloxypropyl] octadecanoate Traditional Name: stearic acid [3-[2-(acetoacetylamino)ethoxy-hydroxy-phosphoryl]oxy-2-stearoyloxy-propyl] ester Formula: C45H86NO10P MolecularWeight: 832.138801

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCC(=O)OCC(COP(=O)(O)OCCNC(=O)CC(=O)C)OC(=O)CCCCCCCCCCCCCCCCC

Isomeric SMILES

CCCCCCCCCCCCCCCCCC(=O)OCC(COP(=O)(O)OCCNC(=O)CC(=O)C)OC(=O)CCCCCCCCCCCCCCCCC

InChI

InChI=1S/C45H86NO10P/c1-4-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-44(49)53-39-42(40-55-57(51,52)54-37-36-46-43(48)38-41(3)47)56-45(50)35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-5-2/h42H,4-40H2,1-3H3,(H,46,48)(H,51,52)