5-heptyl-2-[2-(4-octylphenyl)ethynyl]pyridine

Systemtic Name: 5-heptyl-2-[2-(4-octylphenyl)ethynyl]pyridine Openeye Name: 5-heptyl-2-[2-(4-octylphenyl)ethynyl]pyridine CAS Name: 5-heptyl-2-[2-(4-octylphenyl)ethynyl]pyridine IUPAC Name: 5-heptyl-2-[2-(4-octylphenyl)ethynyl]pyridine Traditional Name: 5-heptyl-2-[2-(4-octylphenyl)ethynyl]pyridine Formula: C28H39N MolecularWeight: 389.61596

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC1=CC=C(C=C1)C#CC2=NC=C(C=C2)CCCCCCC

Isomeric SMILES

CCCCCCCCC1=CC=C(C=C1)C#CC2=NC=C(C=C2)CCCCCCC

InChI

InChI=1S/C28H39N/c1-3-5-7-9-11-12-14-25-16-18-26(19-17-25)20-22-28-23-21-27(24-29-28)15-13-10-8-6-4-2/h16-19,21,23-24H,3-15H2,1-2H3