1-butyl-2-fluoranyl-4-[2-[4-[2-(3-fluoranyl-4-heptyl-phenyl)ethynyl]phenyl]ethynyl]benzene

Systemtic Name: 1-butyl-2-fluoranyl-4-[2-[4-[2-(3-fluoranyl-4-heptyl-phenyl)ethynyl]phenyl]ethynyl]benzene Openeye Name: 1-butyl-2-fluoro-4-[2-[4-[2-(3-fluoro-4-heptyl-phenyl)ethynyl]phenyl]ethynyl]benzene CAS Name: 1-butyl-2-fluoro-4-[2-[4-[2-(3-fluoro-4-heptylphenyl)ethynyl]phenyl]ethynyl]benzene IUPAC Name: 1-butyl-2-fluoro-4-[2-[4-[2-(3-fluoro-4-heptylphenyl)ethynyl]phenyl]ethynyl]benzene Traditional Name: 1-butyl-2-fluoro-4-[2-[4-[2-(3-fluoro-4-heptyl-phenyl)ethynyl]phenyl]ethynyl]benzene Formula: C33H34F2 MolecularWeight: 468.619866

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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