10-[2-[2,3-di(hexadecanoyloxy)propoxy-oxidanyl-phosphoryl]oxyethylamino]decanoic acid

Systemtic Name: 10-[2-[2,3-di(hexadecanoyloxy)propoxy-oxidanyl-phosphoryl]oxyethylamino]decanoic acid Openeye Name: 10-[2-[2,3-di(hexadecanoyloxy)propoxy-hydroxy-phosphoryl]oxyethylamino]decanoic acid CAS Name: 10-[2-[2,3-bis(1-oxohexadecoxy)propoxy-hydroxyphosphoryl]oxyethylamino]decanoic acid IUPAC Name: 10-[2-[2,3-di(hexadecanoyloxy)propoxy-hydroxyphosphoryl]oxyethylamino]decanoic acid Traditional Name: 10-[2-[2,3-di(hexadecanoyloxy)propoxy-hydroxy-phosphoryl]oxyethylamino]capric acid Formula: C47H92NO10P MolecularWeight: 862.207841

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCC(=O)OCC(COP(=O)(O)OCCNCCCCCCCCCC(=O)O)OC(=O)CCCCCCCCCCCCCCC

Isomeric SMILES

CCCCCCCCCCCCCCCC(=O)OCC(COP(=O)(O)OCCNCCCCCCCCCC(=O)O)OC(=O)CCCCCCCCCCCCCCC

InChI

InChI=1S/C47H92NO10P/c1-3-5-7-9-11-13-15-17-19-21-25-29-33-37-46(51)55-42-44(58-47(52)38-34-30-26-22-20-18-16-14-12-10-8-6-4-2)43-57-59(53,54)56-41-40-48-39-35-31-27-23-24-28-32-36-45(49)50/h44,48H,3-43H2,1-2H3,(H,49,50)(H,53,54)