2-methylpropyl docosanoate

Systemtic Name: 2-methylpropyl docosanoate Openeye Name: isobutyl docosanoate CAS Name: docosanoic acid 2-methylpropyl ester IUPAC Name: 2-methylpropyl docosanoate Traditional Name: behenic acid isobutyl ester Formula: C26H52O2 MolecularWeight: 396.68988

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCCCCC(=O)OCC(C)C

Isomeric SMILES

CCCCCCCCCCCCCCCCCCCCCC(=O)OCC(C)C

InChI

InChI=1S/C26H52O2/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-26(27)28-24-25(2)3/h25H,4-24H2,1-3H3