1-hexyl-4-[2-(2-methylphenyl)ethynyl]benzene

Systemtic Name: 1-hexyl-4-[2-(2-methylphenyl)ethynyl]benzene Openeye Name: 1-hexyl-4-[2-(o-tolyl)ethynyl]benzene CAS Name: 1-hexyl-4-[2-(2-methylphenyl)ethynyl]benzene IUPAC Name: 1-hexyl-4-[2-(2-methylphenyl)ethynyl]benzene Traditional Name: 1-hexyl-4-[2-(o-tolyl)ethynyl]benzene Formula: C21H24 MolecularWeight: 276.41526

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1=CC=C(C=C1)C#CC2=CC=CC=C2C

Isomeric SMILES

CCCCCCC1=CC=C(C=C1)C#CC2=CC=CC=C2C

InChI

InChI=1S/C21H24/c1-3-4-5-6-10-19-12-14-20(15-13-19)16-17-21-11-8-7-9-18(21)2/h7-9,11-15H,3-6,10H2,1-2H3