octan-3-yl (9E,12E)-octadeca-9,12-dienoate

Systemtic Name: octan-3-yl (9E,12E)-octadeca-9,12-dienoate Openeye Name: 1-ethylhexyl (9E,12E)-octadeca-9,12-dienoate CAS Name: (9E,12E)-octadeca-9,12-dienoic acid octan-3-yl ester IUPAC Name: octan-3-yl (9E,12E)-octadeca-9,12-dienoate Traditional Name: (9E,12E)-octadeca-9,12-dienoic acid 1-ethylhexyl ester Formula: C26H48O2 MolecularWeight: 392.65812

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC=CCC=CCCCCCCCC(=O)OC(CC)CCCCC

Isomeric SMILES

CCCCC/C=C/C/C=C/CCCCCCCC(=O)OC(CC)CCCCC

InChI

InChI=1S/C26H48O2/c1-4-7-9-10-11-12-13-14-15-16-17-18-19-20-22-24-26(27)28-25(6-3)23-21-8-5-2/h11-12,14-15,25H,4-10,13,16-24H2,1-3H3/b12-11+,15-14+