1-butoxy-4-[(E)-6-(4-heptylphenyl)hex-3-en-1,5-diynyl]benzene

Systemtic Name: 1-butoxy-4-[(E)-6-(4-heptylphenyl)hex-3-en-1,5-diynyl]benzene Openeye Name: 1-butoxy-4-[(E)-6-(4-heptylphenyl)hex-3-en-1,5-diynyl]benzene CAS Name: 1-butoxy-4-[(E)-6-(4-heptylphenyl)hex-3-en-1,5-diynyl]benzene IUPAC Name: 1-butoxy-4-[(E)-6-(4-heptylphenyl)hex-3-en-1,5-diynyl]benzene Traditional Name: 1-butoxy-4-[(E)-6-(4-heptylphenyl)hex-3-en-1,5-diynyl]benzene Formula: C29H34O MolecularWeight: 398.57966

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC1=CC=C(C=C1)C#CC=CC#CC2=CC=C(C=C2)OCCCC

Isomeric SMILES

CCCCCCCC1=CC=C(C=C1)C#C/C=C/C#CC2=CC=C(C=C2)OCCCC

InChI

InChI=1S/C29H34O/c1-3-5-7-8-11-14-26-17-19-27(20-18-26)15-12-9-10-13-16-28-21-23-29(24-22-28)30-25-6-4-2/h9-10,17-24H,3-8,11,14,25H2,1-2H3/b10-9+