[2-(hexoxymethyl)-2-oxidanyl-butyl] docosanoate

Systemtic Name: [2-(hexoxymethyl)-2-oxidanyl-butyl] docosanoate Openeye Name: [2-(hexoxymethyl)-2-hydroxy-butyl] docosanoate CAS Name: docosanoic acid [2-(hexoxymethyl)-2-hydroxybutyl] ester IUPAC Name: [2-(hexoxymethyl)-2-hydroxybutyl] docosanoate Traditional Name: behenic acid [2-(hexoxymethyl)-2-hydroxy-butyl] ester Formula: C33H66O4 MolecularWeight: 526.87474

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCCCCC(=O)OCC(CC)(COCCCCCC)O

Isomeric SMILES

CCCCCCCCCCCCCCCCCCCCCC(=O)OCC(CC)(COCCCCCC)O

InChI

InChI=1S/C33H66O4/c1-4-7-9-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-28-32(34)37-31-33(35,6-3)30-36-29-27-10-8-5-2/h35H,4-31H2,1-3H3