6-methylheptyl (9E,12E)-octadeca-9,12-dienoate

Systemtic Name: 6-methylheptyl (9E,12E)-octadeca-9,12-dienoate Openeye Name: 6-methylheptyl (9E,12E)-octadeca-9,12-dienoate CAS Name: (9E,12E)-octadeca-9,12-dienoic acid 6-methylheptyl ester IUPAC Name: 6-methylheptyl (9E,12E)-octadeca-9,12-dienoate Traditional Name: (9E,12E)-octadeca-9,12-dienoic acid 6-methylheptyl ester Formula: C26H48O2 MolecularWeight: 392.65812

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H48O2/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20-23-26(27)28-24-21-18-19-22-25(2)3/h8-9,11-12,25H,4-7,10,13-24H2,1-3H3/b9-8+,12-11+