3-methylbutyl hexadecanoate

Systemtic Name: 3-methylbutyl hexadecanoate Openeye Name: isopentyl hexadecanoate CAS Name: hexadecanoic acid 3-methylbutyl ester IUPAC Name: 3-methylbutyl hexadecanoate Traditional Name: palmitic acid isoamyl ester Formula: C21H42O2 MolecularWeight: 326.55698

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCC(=O)OCCC(C)C

Isomeric SMILES

CCCCCCCCCCCCCCCC(=O)OCCC(C)C

InChI

InChI=1S/C21H42O2/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21(22)23-19-18-20(2)3/h20H,4-19H2,1-3H3