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1,3-bis(fluoranyl)-2,5-bis[2-(4-heptylphenyl)ethynyl]benzene

1,3-bis(fluoranyl)-2,5-bis[2-(4-heptylphenyl)ethynyl]benzene

Systemtic Name:1,3-bis(fluoranyl)-2,5-bis[2-(4-heptylphenyl)ethynyl]benzene
Openeye Name:1,3-difluoro-2,5-bis[2-(4-heptylphenyl)ethynyl]benzene
CAS Name:1,3-difluoro-2,5-bis[2-(4-heptylphenyl)ethynyl]benzene
IUPAC Name:1,3-difluoro-2,5-bis[2-(4-heptylphenyl)ethynyl]benzene
Traditional Name:1,3-difluoro-2,5-bis[2-(4-heptylphenyl)ethynyl]benzene
Formula: C36H40F2
MolecularWeight: 510.699606
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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC1=CC=C(C=C1)C#CC2=CC(=C(C(=C2)F)C#CC3=CC=C(C=C3)CCCCCCC)F


Isomeric SMILES

CCCCCCCC1=CC=C(C=C1)C#CC2=CC(=C(C(=C2)F)C#CC3=CC=C(C=C3)CCCCCCC)F


InChI

InChI=1S/C36H40F2/c1-3-5-7-9-11-13-29-15-19-31(20-16-29)23-24-33-27-35(37)34(36(38)28-33)26-25-32-21-17-30(18-22-32)14-12-10-8-6-4-2/h15-22,27-28H,3-14H2,1-2H3


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