[(E)-1-[2-(5-oxidanylidenepentyl)phenyl]tridec-3-en-5-yl] ethanoate

Systemtic Name: [(E)-1-[2-(5-oxidanylidenepentyl)phenyl]tridec-3-en-5-yl] ethanoate Openeye Name: 1-[(E)-4-[2-(5-oxopentyl)phenyl]but-1-enyl]nonyl acetate CAS Name: acetic acid [(E)-1-[2-(5-oxopentyl)phenyl]tridec-3-en-5-yl] ester IUPAC Name: [(E)-1-[2-(5-oxopentyl)phenyl]tridec-3-en-5-yl] acetate Traditional Name: acetic acid [(E)-5-[2-(5-ketopentyl)phenyl]-1-octyl-pent-2-enyl] ester Formula: C26H40O3 MolecularWeight: 400.594

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC(C=CCCC1=CC=CC=C1CCCCC=O)OC(=O)C

Isomeric SMILES

CCCCCCCCC(/C=C/CCC1=CC=CC=C1CCCCC=O)OC(=O)C

InChI

InChI=1S/C26H40O3/c1-3-4-5-6-7-10-20-26(29-23(2)28)21-14-13-19-25-18-12-11-17-24(25)16-9-8-15-22-27/h11-12,14,17-18,21-22,26H,3-10,13,15-16,19-20H2,1-2H3/b21-14+