phenacyl (9Z,12Z)-octadeca-9,12-dienoate

Systemtic Name: phenacyl (9Z,12Z)-octadeca-9,12-dienoate Openeye Name: phenacyl (9Z,12Z)-octadeca-9,12-dienoate CAS Name: (9Z,12Z)-octadeca-9,12-dienoic acid phenacyl ester IUPAC Name: phenacyl (9Z,12Z)-octadeca-9,12-dienoate Traditional Name: (9Z,12Z)-octadeca-9,12-dienoic acid phenacyl ester Formula: C26H38O3 MolecularWeight: 398.57812

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC=CCC=CCCCCCCCC(=O)OCC(=O)C1=CC=CC=C1

Isomeric SMILES

CCCCC/C=C\C/C=C\CCCCCCCC(=O)OCC(=O)C1=CC=CC=C1

InChI

InChI=1S/C26H38O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-19-22-26(28)29-23-25(27)24-20-17-16-18-21-24/h6-7,9-10,16-18,20-21H,2-5,8,11-15,19,22-23H2,1H3/b7-6-,10-9-