4-[4-[2-(4-hexylcyclohexen-1-yl)ethynyl]phenyl]benzenecarbonitrile

Systemtic Name: 4-[4-[2-(4-hexylcyclohexen-1-yl)ethynyl]phenyl]benzenecarbonitrile Openeye Name: 4-[4-[2-(4-hexylcyclohexen-1-yl)ethynyl]phenyl]benzonitrile CAS Name: 4-[4-[2-(4-hexyl-1-cyclohexenyl)ethynyl]phenyl]benzonitrile IUPAC Name: 4-[4-[2-(4-hexylcyclohexen-1-yl)ethynyl]phenyl]benzonitrile Traditional Name: 4-[4-[2-(4-hexylcyclohexen-1-yl)ethynyl]phenyl]benzonitrile Formula: C27H29N MolecularWeight: 367.52586

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1CCC(=CC1)C#CC2=CC=C(C=C2)C3=CC=C(C=C3)C#N

Isomeric SMILES

CCCCCCC1CCC(=CC1)C#CC2=CC=C(C=C2)C3=CC=C(C=C3)C#N

InChI

InChI=1S/C27H29N/c1-2-3-4-5-6-22-7-9-23(10-8-22)11-12-24-13-17-26(18-14-24)27-19-15-25(21-28)16-20-27/h9,13-20,22H,2-8,10H2,1H3