8-[[2-(hexadecanoyloxymethyl)-3-tetradecanoyloxy-propoxy]-oxidanyl-phosphoryl]oxyoctanoic acid

Systemtic Name: 8-[[2-(hexadecanoyloxymethyl)-3-tetradecanoyloxy-propoxy]-oxidanyl-phosphoryl]oxyoctanoic acid Openeye Name: 8-[[2-(hexadecanoyloxymethyl)-3-tetradecanoyloxy-propoxy]-hydroxy-phosphoryl]oxyoctanoic acid CAS Name: 8-[hydroxy-[2-(1-oxohexadecoxymethyl)-3-(1-oxotetradecoxy)propoxy]phosphoryl]oxyoctanoic acid IUPAC Name: 8-[[2-(hexadecanoyloxymethyl)-3-tetradecanoyloxypropoxy]-hydroxyphosphoryl]oxyoctanoic acid Traditional Name: 8-[[2-(hexadecanoyloxymethyl)-3-tetradecanoyloxy-propoxy]-hydroxy-phosphoryl]oxycaprylic acid Formula: C42H81O10P MolecularWeight: 777.060301

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCC)COP(=O)(O)OCCCCCCCC(=O)O

Isomeric SMILES

CCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCC)COP(=O)(O)OCCCCCCCC(=O)O

InChI

InChI=1S/C42H81O10P/c1-3-5-7-9-11-13-15-16-18-20-22-26-30-34-42(46)50-37-39(38-52-53(47,48)51-35-31-27-23-24-28-32-40(43)44)36-49-41(45)33-29-25-21-19-17-14-12-10-8-6-4-2/h39H,3-38H2,1-2H3,(H,43,44)(H,47,48)