2-fluoranyl-4-[2-(3-fluoranyl-4-hexyl-phenyl)ethynyl]-1-[2-(4-pentylphenyl)ethynyl]benzene

Systemtic Name: 2-fluoranyl-4-[2-(3-fluoranyl-4-hexyl-phenyl)ethynyl]-1-[2-(4-pentylphenyl)ethynyl]benzene Openeye Name: 2-fluoro-4-[2-(3-fluoro-4-hexyl-phenyl)ethynyl]-1-[2-(4-pentylphenyl)ethynyl]benzene CAS Name: 2-fluoro-4-[2-(3-fluoro-4-hexylphenyl)ethynyl]-1-[2-(4-pentylphenyl)ethynyl]benzene IUPAC Name: 2-fluoro-4-[2-(3-fluoro-4-hexylphenyl)ethynyl]-1-[2-(4-pentylphenyl)ethynyl]benzene Traditional Name: 1-[2-(4-amylphenyl)ethynyl]-2-fluoro-4-[2-(3-fluoro-4-hexyl-phenyl)ethynyl]benzene Formula: C33H34F2 MolecularWeight: 468.619866

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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)F

Isomeric SMILES

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

InChI

InChI=1S/C33H34F2/c1-3-5-7-9-11-30-22-19-28(24-32(30)34)16-17-29-20-23-31(33(35)25-29)21-18-27-14-12-26(13-15-27)10-8-6-4-2/h12-15,19-20,22-25H,3-11H2,1-2H3