5-hexyl-2-(4-hexylphenyl)benzenecarbonitrile

Systemtic Name: 5-hexyl-2-(4-hexylphenyl)benzenecarbonitrile Openeye Name: 5-hexyl-2-(4-hexylphenyl)benzonitrile CAS Name: 5-hexyl-2-(4-hexylphenyl)benzonitrile IUPAC Name: 5-hexyl-2-(4-hexylphenyl)benzonitrile Traditional Name: 5-hexyl-2-(4-hexylphenyl)benzonitrile Formula: C25H33N MolecularWeight: 347.53622

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1=CC=C(C=C1)C2=C(C=C(C=C2)CCCCCC)C#N

Isomeric SMILES

CCCCCCC1=CC=C(C=C1)C2=C(C=C(C=C2)CCCCCC)C#N

InChI

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