4-(4-octylcyclohexa-1,5-dien-1-yl)benzenecarbonitrile

Systemtic Name: 4-(4-octylcyclohexa-1,5-dien-1-yl)benzenecarbonitrile Openeye Name: 4-(4-octylcyclohexa-1,5-dien-1-yl)benzonitrile CAS Name: 4-(4-octyl-1-cyclohexa-1,5-dienyl)benzonitrile IUPAC Name: 4-(4-octylcyclohexa-1,5-dien-1-yl)benzonitrile Traditional Name: 4-(4-octylcyclohexa-1,5-dien-1-yl)benzonitrile Formula: C21H27N MolecularWeight: 293.44578

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC1CC=C(C=C1)C2=CC=C(C=C2)C#N

Isomeric SMILES

CCCCCCCCC1CC=C(C=C1)C2=CC=C(C=C2)C#N

InChI

InChI=1S/C21H27N/c1-2-3-4-5-6-7-8-18-9-13-20(14-10-18)21-15-11-19(17-22)12-16-21/h9,11-16,18H,2-8,10H2,1H3