(4,4-dimethyl-2-oxidanyl-pentyl) docosanoate

Systemtic Name: (4,4-dimethyl-2-oxidanyl-pentyl) docosanoate Openeye Name: (2-hydroxy-4,4-dimethyl-pentyl) docosanoate CAS Name: docosanoic acid (2-hydroxy-4,4-dimethylpentyl) ester IUPAC Name: (2-hydroxy-4,4-dimethylpentyl) docosanoate Traditional Name: behenic acid (2-hydroxy-4,4-dimethyl-pentyl) ester Formula: C29H58O3 MolecularWeight: 454.76902

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCCCCC(=O)OCC(CC(C)(C)C)O

Isomeric SMILES

CCCCCCCCCCCCCCCCCCCCCC(=O)OCC(CC(C)(C)C)O

InChI

InChI=1S/C29H58O3/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-28(31)32-26-27(30)25-29(2,3)4/h27,30H,5-26H2,1-4H3