2-[2-(4-butylphenyl)ethynyl]-5-octyl-pyridine

Systemtic Name: 2-[2-(4-butylphenyl)ethynyl]-5-octyl-pyridine Openeye Name: 2-[2-(4-butylphenyl)ethynyl]-5-octyl-pyridine CAS Name: 2-[2-(4-butylphenyl)ethynyl]-5-octylpyridine IUPAC Name: 2-[2-(4-butylphenyl)ethynyl]-5-octylpyridine Traditional Name: 2-[2-(4-butylphenyl)ethynyl]-5-octyl-pyridine Formula: C25H33N MolecularWeight: 347.53622

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC1=CN=C(C=C1)C#CC2=CC=C(C=C2)CCCC

Isomeric SMILES

CCCCCCCCC1=CN=C(C=C1)C#CC2=CC=C(C=C2)CCCC

InChI

InChI=1S/C25H33N/c1-3-5-7-8-9-10-12-24-18-20-25(26-21-24)19-17-23-15-13-22(14-16-23)11-6-4-2/h13-16,18,20-21H,3-12H2,1-2H3