12-[2-[2,3-di(hexadecanoyloxy)propoxy-oxidanyl-phosphoryl]oxyethylamino]dodecanoic acid

Systemtic Name: 12-[2-[2,3-di(hexadecanoyloxy)propoxy-oxidanyl-phosphoryl]oxyethylamino]dodecanoic acid Openeye Name: 12-[2-[2,3-di(hexadecanoyloxy)propoxy-hydroxy-phosphoryl]oxyethylamino]dodecanoic acid CAS Name: 12-[2-[2,3-bis(1-oxohexadecoxy)propoxy-hydroxyphosphoryl]oxyethylamino]dodecanoic acid IUPAC Name: 12-[2-[2,3-di(hexadecanoyloxy)propoxy-hydroxyphosphoryl]oxyethylamino]dodecanoic acid Traditional Name: 12-[2-[2,3-di(hexadecanoyloxy)propoxy-hydroxy-phosphoryl]oxyethylamino]lauric acid Formula: C49H96NO10P MolecularWeight: 890.261001

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C49H96NO10P/c1-3-5-7-9-11-13-15-17-19-23-27-31-35-39-48(53)57-44-46(60-49(54)40-36-32-28-24-20-18-16-14-12-10-8-6-4-2)45-59-61(55,56)58-43-42-50-41-37-33-29-25-21-22-26-30-34-38-47(51)52/h46,50H,3-45H2,1-2H3,(H,51,52)(H,55,56)