6-[2-(docosanoyloxymethyl)-2-(hydroxymethyl)-3-octadecanoyloxy-propoxy]-6-oxidanylidene-hexanoic acid

Systemtic Name: 6-[2-(docosanoyloxymethyl)-2-(hydroxymethyl)-3-octadecanoyloxy-propoxy]-6-oxidanylidene-hexanoic acid Openeye Name: 6-[2-(docosanoyloxymethyl)-2-(hydroxymethyl)-3-octadecanoyloxy-propoxy]-6-oxo-hexanoic acid CAS Name: 6-[2-(hydroxymethyl)-2-(1-oxodocosoxymethyl)-3-(1-oxooctadecoxy)propoxy]-6-oxohexanoic acid IUPAC Name: 6-[2-(docosanoyloxymethyl)-2-(hydroxymethyl)-3-octadecanoyloxypropoxy]-6-oxohexanoic acid Traditional Name: 6-[2-(docosanoyloxymethyl)-2-methylol-3-stearoyloxy-propoxy]-6-keto-hexanoic acid Formula: C51H96O9 MolecularWeight: 853.30254

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCCCCC(=O)OCC(CO)(COC(=O)CCCCCCCCCCCCCCCCC)COC(=O)CCCCC(=O)O

Isomeric SMILES

CCCCCCCCCCCCCCCCCCCCCC(=O)OCC(CO)(COC(=O)CCCCCCCCCCCCCCCCC)COC(=O)CCCCC(=O)O

InChI

InChI=1S/C51H96O9/c1-3-5-7-9-11-13-15-17-19-20-21-22-24-26-28-30-32-34-36-41-49(56)59-45-51(43-52,46-60-50(57)42-38-37-39-47(53)54)44-58-48(55)40-35-33-31-29-27-25-23-18-16-14-12-10-8-6-4-2/h52H,3-46H2,1-2H3,(H,53,54)