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

Systemtic Name: 1-butyl-2-fluoranyl-4-[2-[4-[2-(4-heptylphenyl)ethynyl]phenyl]ethynyl]benzene Openeye Name: 1-butyl-2-fluoro-4-[2-[4-[2-(4-heptylphenyl)ethynyl]phenyl]ethynyl]benzene CAS Name: 1-butyl-2-fluoro-4-[2-[4-[2-(4-heptylphenyl)ethynyl]phenyl]ethynyl]benzene IUPAC Name: 1-butyl-2-fluoro-4-[2-[4-[2-(4-heptylphenyl)ethynyl]phenyl]ethynyl]benzene Traditional Name: 1-butyl-2-fluoro-4-[2-[4-[2-(4-heptylphenyl)ethynyl]phenyl]ethynyl]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/c1-3-5-7-8-9-10-27-12-14-28(15-13-27)16-17-29-18-20-30(21-19-29)22-23-31-24-25-32(11-6-4-2)33(34)26-31/h12-15,18-21,24-26H,3-11H2,1-2H3