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3-methylbutyl docosanoate

3-methylbutyl docosanoate

Systemtic Name:3-methylbutyl docosanoate
Openeye Name:isopentyl docosanoate
CAS Name:docosanoic acid 3-methylbutyl ester
IUPAC Name:3-methylbutyl docosanoate
Traditional Name:behenic acid isoamyl ester
Formula: C27H54O2
MolecularWeight: 410.71646
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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCCCCC(=O)OCCC(C)C


Isomeric SMILES

CCCCCCCCCCCCCCCCCCCCCC(=O)OCCC(C)C


InChI

InChI=1S/C27H54O2/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-27(28)29-25-24-26(2)3/h26H,4-25H2,1-3H3


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