21-[2-[2,3-di(hexadecanoyloxy)propoxy-oxidanyl-phosphoryl]oxyethylamino]henicosanoic acid

Systemtic Name: 21-[2-[2,3-di(hexadecanoyloxy)propoxy-oxidanyl-phosphoryl]oxyethylamino]henicosanoic acid Openeye Name: 21-[2-[2,3-di(hexadecanoyloxy)propoxy-hydroxy-phosphoryl]oxyethylamino]henicosanoic acid CAS Name: 21-[2-[2,3-bis(1-oxohexadecoxy)propoxy-hydroxyphosphoryl]oxyethylamino]heneicosanoic acid IUPAC Name: 21-[2-[2,3-di(hexadecanoyloxy)propoxy-hydroxyphosphoryl]oxyethylamino]henicosanoic acid Traditional Name: 21-[2-[2,3-di(hexadecanoyloxy)propoxy-hydroxy-phosphoryl]oxyethylamino]heneicosanoic acid Formula: C58H114NO10P MolecularWeight: 1016.500221

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C58H114NO10P/c1-3-5-7-9-11-13-15-23-28-32-36-40-44-48-57(62)66-53-55(69-58(63)49-45-41-37-33-29-24-16-14-12-10-8-6-4-2)54-68-70(64,65)67-52-51-59-50-46-42-38-34-30-26-22-20-18-17-19-21-25-27-31-35-39-43-47-56(60)61/h55,59H,3-54H2,1-2H3,(H,60,61)(H,64,65)