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

Systemtic Name: 1-butyl-4-[2-[4-[2-(4-heptylphenyl)ethynyl]phenyl]ethynyl]benzene Openeye Name: 1-butyl-4-[2-[4-[2-(4-heptylphenyl)ethynyl]phenyl]ethynyl]benzene CAS Name: 1-butyl-4-[2-[4-[2-(4-heptylphenyl)ethynyl]phenyl]ethynyl]benzene IUPAC Name: 1-butyl-4-[2-[4-[2-(4-heptylphenyl)ethynyl]phenyl]ethynyl]benzene Traditional Name: 1-butyl-4-[2-[4-[2-(4-heptylphenyl)ethynyl]phenyl]ethynyl]benzene Formula: C33H36 MolecularWeight: 432.63894

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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

Isomeric SMILES

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

InChI

InChI=1S/C33H36/c1-3-5-7-8-9-11-29-14-18-31(19-15-29)21-23-33-26-24-32(25-27-33)22-20-30-16-12-28(13-17-30)10-6-4-2/h12-19,24-27H,3-11H2,1-2H3