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

Systemtic Name: 1-butyl-4-[(E)-6-(4-pentylphenyl)hex-3-en-1,5-diynyl]benzene Openeye Name: 1-butyl-4-[(E)-6-(4-pentylphenyl)hex-3-en-1,5-diynyl]benzene CAS Name: 1-butyl-4-[(E)-6-(4-pentylphenyl)hex-3-en-1,5-diynyl]benzene IUPAC Name: 1-butyl-4-[(E)-6-(4-pentylphenyl)hex-3-en-1,5-diynyl]benzene Traditional Name: 1-amyl-4-[(E)-6-(4-butylphenyl)hex-3-en-1,5-diynyl]benzene Formula: C27H30 MolecularWeight: 354.5271

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CCCCCC1=CC=C(C=C1)C#C/C=C/C#CC2=CC=C(C=C2)CCCC

InChI

InChI=1S/C27H30/c1-3-5-9-13-25-20-22-27(23-21-25)15-11-8-7-10-14-26-18-16-24(17-19-26)12-6-4-2/h7-8,16-23H,3-6,9,12-13H2,1-2H3/b8-7+