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

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

Systemtic Name:1-heptyl-4-[(1E,5E)-6-(4-hexylphenyl)hexa-1,5-dien-3-ynyl]benzene
Openeye Name:1-heptyl-4-[(1E,5E)-6-(4-hexylphenyl)hexa-1,5-dien-3-ynyl]benzene
CAS Name:1-heptyl-4-[(1E,5E)-6-(4-hexylphenyl)hexa-1,5-dien-3-ynyl]benzene
IUPAC Name:1-heptyl-4-[(1E,5E)-6-(4-hexylphenyl)hexa-1,5-dien-3-ynyl]benzene
Traditional Name:1-heptyl-4-[(1E,5E)-6-(4-hexylphenyl)hexa-1,5-dien-3-ynyl]benzene
Formula: C31H40
MolecularWeight: 412.6493
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Descriptors Computed from Structure

Canonical SMILES:

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


Isomeric SMILES

CCCCCCCC1=CC=C(C=C1)/C=C/C#C/C=C/C2=CC=C(C=C2)CCCCCC


InChI

InChI=1S/C31H40/c1-3-5-7-9-13-17-29-24-26-31(27-25-29)19-15-11-10-14-18-30-22-20-28(21-23-30)16-12-8-6-4-2/h14-15,18-27H,3-9,12-13,16-17H2,1-2H3/b18-14+,19-15+


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