[3-[2,3-di(hexadecanoyloxy)propoxy-oxidanyl-phosphoryl]oxy-2-hexadecanoyloxy-propyl] hexadecanoate; sodium

Systemtic Name: [3-[2,3-di(hexadecanoyloxy)propoxy-oxidanyl-phosphoryl]oxy-2-hexadecanoyloxy-propyl] hexadecanoate; sodium Openeye Name: [3-[2,3-di(hexadecanoyloxy)propoxy-hydroxy-phosphoryl]oxy-2-hexadecanoyloxy-propyl] hexadecanoate; sodium CAS Name: hexadecanoic acid [3-[2,3-bis(1-oxohexadecoxy)propoxy-hydroxyphosphoryl]oxy-2-(1-oxohexadecoxy)propyl] ester; sodium IUPAC Name: [3-[2,3-di(hexadecanoyloxy)propoxy-hydroxyphosphoryl]oxy-2-hexadecanoyloxypropyl] hexadecanoate; sodium Traditional Name: palmitic acid [3-[2,3-di(hexadecanoyloxy)propoxy-hydroxy-phosphoryl]oxy-2-hexadecanoyloxy-propyl] ester; sodium Formula: C70H135NaO12P MolecularWeight: 1222.777231

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCC(=O)OCC(COP(=O)(O)OCC(COC(=O)CCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCC.[Na]

Isomeric SMILES

CCCCCCCCCCCCCCCC(=O)OCC(COP(=O)(O)OCC(COC(=O)CCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCC.[Na]

InChI

InChI=1S/C70H135O12P.Na/c1-5-9-13-17-21-25-29-33-37-41-45-49-53-57-67(71)77-61-65(81-69(73)59-55-51-47-43-39-35-31-27-23-19-15-11-7-3)63-79-83(75,76)80-64-66(82-70(74)60-56-52-48-44-40-36-32-28-24-20-16-12-8-4)62-78-68(72)58-54-50-46-42-38-34-30-26-22-18-14-10-6-2;/h65-66H,5-64H2,1-4H3,(H,75,76);