1-[2-[4-[2-(4-butylphenyl)ethynyl]phenyl]ethynyl]-2-fluoranyl-4-heptyl-benzene

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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