4-[2-[2-ethyl-4-[2-(4-hexylphenyl)ethynyl]phenyl]ethynyl]benzenecarbonitrile

Systemtic Name: 4-[2-[2-ethyl-4-[2-(4-hexylphenyl)ethynyl]phenyl]ethynyl]benzenecarbonitrile Openeye Name: 4-[2-[2-ethyl-4-[2-(4-hexylphenyl)ethynyl]phenyl]ethynyl]benzonitrile CAS Name: 4-[2-[2-ethyl-4-[2-(4-hexylphenyl)ethynyl]phenyl]ethynyl]benzonitrile IUPAC Name: 4-[2-[2-ethyl-4-[2-(4-hexylphenyl)ethynyl]phenyl]ethynyl]benzonitrile Traditional Name: 4-[2-[2-ethyl-4-[2-(4-hexylphenyl)ethynyl]phenyl]ethynyl]benzonitrile Formula: C31H29N MolecularWeight: 415.56866

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1=CC=C(C=C1)C#CC2=CC(=C(C=C2)C#CC3=CC=C(C=C3)C#N)CC

Isomeric SMILES

CCCCCCC1=CC=C(C=C1)C#CC2=CC(=C(C=C2)C#CC3=CC=C(C=C3)C#N)CC

InChI

InChI=1S/C31H29N/c1-3-5-6-7-8-25-9-11-26(12-10-25)13-16-28-20-22-31(30(4-2)23-28)21-19-27-14-17-29(24-32)18-15-27/h9-12,14-15,17-18,20,22-23H,3-8H2,1-2H3