[2-(docosanoyloxymethyl)-2-(hydroxymethyl)butyl] docosanoate

Systemtic Name: [2-(docosanoyloxymethyl)-2-(hydroxymethyl)butyl] docosanoate Openeye Name: [2-(docosanoyloxymethyl)-2-(hydroxymethyl)butyl] docosanoate CAS Name: docosanoic acid [2-(hydroxymethyl)-2-(1-oxodocosoxymethyl)butyl] ester IUPAC Name: [2-(docosanoyloxymethyl)-2-(hydroxymethyl)butyl] docosanoate Traditional Name: behenic acid [2-(docosanoyloxymethyl)-2-methylol-butyl] ester Formula: C50H98O5 MolecularWeight: 779.31012

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C50H98O5/c1-4-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-39-41-43-48(52)54-46-50(6-3,45-51)47-55-49(53)44-42-40-38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-5-2/h51H,4-47H2,1-3H3