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

Systemtic Name: 2-fluoranyl-1-heptyl-4-[2-[4-[2-(4-pentylphenyl)ethynyl]phenyl]ethynyl]benzene Openeye Name: 2-fluoro-1-heptyl-4-[2-[4-[2-(4-pentylphenyl)ethynyl]phenyl]ethynyl]benzene CAS Name: 2-fluoro-1-heptyl-4-[2-[4-[2-(4-pentylphenyl)ethynyl]phenyl]ethynyl]benzene IUPAC Name: 2-fluoro-1-heptyl-4-[2-[4-[2-(4-pentylphenyl)ethynyl]phenyl]ethynyl]benzene Traditional Name: 4-[2-[4-[2-(4-amylphenyl)ethynyl]phenyl]ethynyl]-2-fluoro-1-heptyl-benzene Formula: C34H37F MolecularWeight: 464.655983

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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)CCCCC)F

Isomeric SMILES

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

InChI

InChI=1S/C34H37F/c1-3-5-7-8-10-12-33-26-25-32(27-34(33)35)24-23-31-21-19-30(20-22-31)18-17-29-15-13-28(14-16-29)11-9-6-4-2/h13-16,19-22,25-27H,3-12H2,1-2H3