2-fluoranyl-1-hexyl-4-[2-[4-[2-(4-pentylphenyl)ethynyl]phenyl]ethynyl]benzene

Systemtic Name: 2-fluoranyl-1-hexyl-4-[2-[4-[2-(4-pentylphenyl)ethynyl]phenyl]ethynyl]benzene Openeye Name: 2-fluoro-1-hexyl-4-[2-[4-[2-(4-pentylphenyl)ethynyl]phenyl]ethynyl]benzene CAS Name: 2-fluoro-1-hexyl-4-[2-[4-[2-(4-pentylphenyl)ethynyl]phenyl]ethynyl]benzene IUPAC Name: 2-fluoro-1-hexyl-4-[2-[4-[2-(4-pentylphenyl)ethynyl]phenyl]ethynyl]benzene Traditional Name: 4-[2-[4-[2-(4-amylphenyl)ethynyl]phenyl]ethynyl]-2-fluoro-1-hexyl-benzene Formula: C33H35F MolecularWeight: 450.629403

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1=C(C=C(C=C1)C#CC2=CC=C(C=C2)C#CC3=CC=C(C=C3)CCCCC)F

Isomeric SMILES

CCCCCCC1=C(C=C(C=C1)C#CC2=CC=C(C=C2)C#CC3=CC=C(C=C3)CCCCC)F

InChI

InChI=1S/C33H35F/c1-3-5-7-9-11-32-25-24-31(26-33(32)34)23-22-30-20-18-29(19-21-30)17-16-28-14-12-27(13-15-28)10-8-6-4-2/h12-15,18-21,24-26H,3-11H2,1-2H3