4-[2-(4-nonylphenyl)ethynyl]benzenecarbonitrile

Systemtic Name: 4-[2-(4-nonylphenyl)ethynyl]benzenecarbonitrile Openeye Name: 4-[2-(4-nonylphenyl)ethynyl]benzonitrile CAS Name: 4-[2-(4-nonylphenyl)ethynyl]benzonitrile IUPAC Name: 4-[2-(4-nonylphenyl)ethynyl]benzonitrile Traditional Name: 4-[2-(4-nonylphenyl)ethynyl]benzonitrile Formula: C24H27N MolecularWeight: 329.47788

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCC1=CC=C(C=C1)C#CC2=CC=C(C=C2)C#N

Isomeric SMILES

CCCCCCCCCC1=CC=C(C=C1)C#CC2=CC=C(C=C2)C#N

InChI

InChI=1S/C24H27N/c1-2-3-4-5-6-7-8-9-21-10-12-22(13-11-21)14-15-23-16-18-24(20-25)19-17-23/h10-13,16-19H,2-9H2,1H3