4-[2-(4-butylphenyl)ethynyl]-2-fluoranyl-1-[2-(3-fluoranyl-4-pentyl-phenyl)ethynyl]benzene

Systemtic Name: 4-[2-(4-butylphenyl)ethynyl]-2-fluoranyl-1-[2-(3-fluoranyl-4-pentyl-phenyl)ethynyl]benzene Openeye Name: 4-[2-(4-butylphenyl)ethynyl]-2-fluoro-1-[2-(3-fluoro-4-pentyl-phenyl)ethynyl]benzene CAS Name: 4-[2-(4-butylphenyl)ethynyl]-2-fluoro-1-[2-(3-fluoro-4-pentylphenyl)ethynyl]benzene IUPAC Name: 4-[2-(4-butylphenyl)ethynyl]-2-fluoro-1-[2-(3-fluoro-4-pentylphenyl)ethynyl]benzene Traditional Name: 1-amyl-4-[2-[4-[2-(4-butylphenyl)ethynyl]-2-fluoro-phenyl]ethynyl]-2-fluoro-benzene Formula: C31H30F2 MolecularWeight: 440.566706

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C31H30F2/c1-3-5-7-9-28-19-16-27(23-30(28)32)18-21-29-20-17-26(22-31(29)33)15-14-25-12-10-24(11-13-25)8-6-4-2/h10-13,16-17,19-20,22-23H,3-9H2,1-2H3