[2-(docosanoyloxymethyl)-2-(hydroxymethyl)-3-oxidanyl-propyl] docosanoate

Systemtic Name: [2-(docosanoyloxymethyl)-2-(hydroxymethyl)-3-oxidanyl-propyl] docosanoate Openeye Name: [2-(docosanoyloxymethyl)-3-hydroxy-2-(hydroxymethyl)propyl] docosanoate CAS Name: docosanoic acid [2,2-bis(hydroxymethyl)-3-(1-oxodocosoxy)propyl] ester IUPAC Name: [2-(docosanoyloxymethyl)-3-hydroxy-2-(hydroxymethyl)propyl] docosanoate Traditional Name: behenic acid [2-(docosanoyloxymethyl)-3-hydroxy-2-methylol-propyl] ester Formula: C49H96O6 MolecularWeight: 781.28294

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCCCCC(=O)OCC(CO)(CO)COC(=O)CCCCCCCCCCCCCCCCCCCCC

Isomeric SMILES

CCCCCCCCCCCCCCCCCCCCCC(=O)OCC(CO)(CO)COC(=O)CCCCCCCCCCCCCCCCCCCCC

InChI

InChI=1S/C49H96O6/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-39-41-47(52)54-45-49(43-50,44-51)46-55-48(53)42-40-38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h50-51H,3-46H2,1-2H3