6-[2-(hydroxymethyl)-2-(octadecanoyloxymethyl)-3-(2-oxidanyloctadecanoyloxy)propoxy]-6-oxidanylidene-hexanoic acid

Systemtic Name: 6-[2-(hydroxymethyl)-2-(octadecanoyloxymethyl)-3-(2-oxidanyloctadecanoyloxy)propoxy]-6-oxidanylidene-hexanoic acid Openeye Name: 6-[2-(hydroxymethyl)-2-(2-hydroxyoctadecanoyloxymethyl)-3-octadecanoyloxy-propoxy]-6-oxo-hexanoic acid CAS Name: 6-[2-(hydroxymethyl)-2-[(2-hydroxy-1-oxooctadecoxy)methyl]-3-(1-oxooctadecoxy)propoxy]-6-oxohexanoic acid IUPAC Name: 6-[2-(hydroxymethyl)-2-(2-hydroxyoctadecanoyloxymethyl)-3-octadecanoyloxypropoxy]-6-oxohexanoic acid Traditional Name: 6-[2-(2-hydroxyoctadecanoyloxymethyl)-2-methylol-3-stearoyloxy-propoxy]-6-keto-hexanoic acid Formula: C47H88O10 MolecularWeight: 813.19562

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCC(=O)OCC(CO)(COC(=O)CCCCC(=O)O)COC(=O)C(CCCCCCCCCCCCCCCC)O

Isomeric SMILES

CCCCCCCCCCCCCCCCCC(=O)OCC(CO)(COC(=O)CCCCC(=O)O)COC(=O)C(CCCCCCCCCCCCCCCC)O

InChI

InChI=1S/C47H88O10/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-36-44(52)55-39-47(38-48,40-56-45(53)37-33-32-35-43(50)51)41-57-46(54)42(49)34-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h42,48-49H,3-41H2,1-2H3,(H,50,51)