[2-[9-(hydroxymethyl)octadecanoyloxy]-3-octadecanoyloxy-propyl] 9-(hydroxymethyl)octadecanoate

Systemtic Name: [2-[9-(hydroxymethyl)octadecanoyloxy]-3-octadecanoyloxy-propyl] 9-(hydroxymethyl)octadecanoate Openeye Name: [2-[9-(hydroxymethyl)octadecanoyloxy]-3-octadecanoyloxy-propyl] 9-(hydroxymethyl)octadecanoate CAS Name: 9-(hydroxymethyl)octadecanoic acid [2-[9-(hydroxymethyl)-1-oxooctadecoxy]-3-(1-oxooctadecoxy)propyl] ester IUPAC Name: [2-[9-(hydroxymethyl)octadecanoyloxy]-3-octadecanoyloxypropyl] 9-(hydroxymethyl)octadecanoate Traditional Name: 9-methylolstearic acid [2-(9-methyloloctadecanoyloxy)-3-stearoyloxy-propyl] ester Formula: C59H114O8 MolecularWeight: 951.53166

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCC(CCCCCCCCC)CO)OC(=O)CCCCCCCC(CCCCCCCCC)CO

Isomeric SMILES

CCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCC(CCCCCCCCC)CO)OC(=O)CCCCCCCC(CCCCCCCCC)CO

InChI

InChI=1S/C59H114O8/c1-4-7-10-13-16-17-18-19-20-21-22-23-26-33-40-47-57(62)65-52-56(67-59(64)49-42-35-28-32-39-46-55(51-61)44-37-30-25-15-12-9-6-3)53-66-58(63)48-41-34-27-31-38-45-54(50-60)43-36-29-24-14-11-8-5-2/h54-56,60-61H,4-53H2,1-3H3