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

Systemtic Name: 1-[2-[4-[2-(4-butylphenyl)ethynyl]phenyl]ethynyl]-2-fluoranyl-4-pentyl-benzene Openeye Name: 1-[2-[4-[2-(4-butylphenyl)ethynyl]phenyl]ethynyl]-2-fluoro-4-pentyl-benzene CAS Name: 1-[2-[4-[2-(4-butylphenyl)ethynyl]phenyl]ethynyl]-2-fluoro-4-pentylbenzene IUPAC Name: 1-[2-[4-[2-(4-butylphenyl)ethynyl]phenyl]ethynyl]-2-fluoro-4-pentylbenzene Traditional Name: 4-amyl-1-[2-[4-[2-(4-butylphenyl)ethynyl]phenyl]ethynyl]-2-fluoro-benzene Formula: C31H31F MolecularWeight: 422.576243

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C31H31F/c1-3-5-7-9-29-21-23-30(31(32)24-29)22-20-28-18-16-27(17-19-28)15-14-26-12-10-25(11-13-26)8-6-4-2/h10-13,16-19,21,23-24H,3-9H2,1-2H3