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

Systemtic Name: 1-butyl-4-[(1E,5E)-6-(4-propoxyphenyl)hexa-1,5-dien-3-ynyl]benzene Openeye Name: 1-butyl-4-[(1E,5E)-6-(4-propoxyphenyl)hexa-1,5-dien-3-ynyl]benzene CAS Name: 1-butyl-4-[(1E,5E)-6-(4-propoxyphenyl)hexa-1,5-dien-3-ynyl]benzene IUPAC Name: 1-butyl-4-[(1E,5E)-6-(4-propoxyphenyl)hexa-1,5-dien-3-ynyl]benzene Traditional Name: 1-butyl-4-[(1E,5E)-6-(4-propoxyphenyl)hexa-1,5-dien-3-ynyl]benzene Formula: C25H28O MolecularWeight: 344.48922

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)C=CC#CC=CC2=CC=C(C=C2)OCCC

Isomeric SMILES

CCCCC1=CC=C(C=C1)/C=C/C#C/C=C/C2=CC=C(C=C2)OCCC

InChI

InChI=1S/C25H28O/c1-3-5-10-22-13-15-23(16-14-22)11-8-6-7-9-12-24-17-19-25(20-18-24)26-21-4-2/h8-9,11-20H,3-5,10,21H2,1-2H3/b11-8+,12-9+