3-methylbutyl (9E,12E)-octadeca-9,12-dienoate

Systemtic Name: 3-methylbutyl (9E,12E)-octadeca-9,12-dienoate Openeye Name: isopentyl (9E,12E)-octadeca-9,12-dienoate CAS Name: (9E,12E)-octadeca-9,12-dienoic acid 3-methylbutyl ester IUPAC Name: 3-methylbutyl (9E,12E)-octadeca-9,12-dienoate Traditional Name: (9E,12E)-octadeca-9,12-dienoic acid isoamyl ester Formula: C23H42O2 MolecularWeight: 350.57838

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC=CCC=CCCCCCCCC(=O)OCCC(C)C

Isomeric SMILES

CCCCC/C=C/C/C=C/CCCCCCCC(=O)OCCC(C)C

InChI

InChI=1S/C23H42O2/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-23(24)25-21-20-22(2)3/h8-9,11-12,22H,4-7,10,13-21H2,1-3H3/b9-8+,12-11+