1-butoxy-4-[(1E,5E)-6-(4-pentylphenyl)hexa-1,5-dien-3-ynyl]benzene

Systemtic Name: 1-butoxy-4-[(1E,5E)-6-(4-pentylphenyl)hexa-1,5-dien-3-ynyl]benzene Openeye Name: 1-butoxy-4-[(1E,5E)-6-(4-pentylphenyl)hexa-1,5-dien-3-ynyl]benzene CAS Name: 1-butoxy-4-[(1E,5E)-6-(4-pentylphenyl)hexa-1,5-dien-3-ynyl]benzene IUPAC Name: 1-butoxy-4-[(1E,5E)-6-(4-pentylphenyl)hexa-1,5-dien-3-ynyl]benzene Traditional Name: 1-amyl-4-[(1E,5E)-6-(4-butoxyphenyl)hexa-1,5-dien-3-ynyl]benzene Formula: C27H32O MolecularWeight: 372.54238

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1=CC=C(C=C1)C=CC#CC=CC2=CC=C(C=C2)OCCCC

Isomeric SMILES

CCCCCC1=CC=C(C=C1)/C=C/C#C/C=C/C2=CC=C(C=C2)OCCCC

InChI

InChI=1S/C27H32O/c1-3-5-9-12-24-15-17-25(18-16-24)13-10-7-8-11-14-26-19-21-27(22-20-26)28-23-6-4-2/h10-11,13-22H,3-6,9,12,23H2,1-2H3/b13-10+,14-11+