3-fluoranyl-4-[2-[4-[2-(4-pentylphenyl)ethynyl]phenyl]ethynyl]benzenecarbonitrile

Systemtic Name: 3-fluoranyl-4-[2-[4-[2-(4-pentylphenyl)ethynyl]phenyl]ethynyl]benzenecarbonitrile Openeye Name: 3-fluoro-4-[2-[4-[2-(4-pentylphenyl)ethynyl]phenyl]ethynyl]benzonitrile CAS Name: 3-fluoro-4-[2-[4-[2-(4-pentylphenyl)ethynyl]phenyl]ethynyl]benzonitrile IUPAC Name: 3-fluoro-4-[2-[4-[2-(4-pentylphenyl)ethynyl]phenyl]ethynyl]benzonitrile Traditional Name: 4-[2-[4-[2-(4-amylphenyl)ethynyl]phenyl]ethynyl]-3-fluoro-benzonitrile Formula: C28H22FN MolecularWeight: 391.479383

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1=CC=C(C=C1)C#CC2=CC=C(C=C2)C#CC3=C(C=C(C=C3)C#N)F

Isomeric SMILES

CCCCCC1=CC=C(C=C1)C#CC2=CC=C(C=C2)C#CC3=C(C=C(C=C3)C#N)F

InChI

InChI=1S/C28H22FN/c1-2-3-4-5-22-6-8-23(9-7-22)10-11-24-12-14-25(15-13-24)16-18-27-19-17-26(21-30)20-28(27)29/h6-9,12-15,17,19-20H,2-5H2,1H3