2-chloranyl-4-[2-(1-octyl-4-bicyclo[2.2.2]octanyl)phenyl]benzenecarbonitrile

Systemtic Name: 2-chloranyl-4-[2-(1-octyl-4-bicyclo[2.2.2]octanyl)phenyl]benzenecarbonitrile Openeye Name: 2-chloro-4-[2-(1-octyl-4-bicyclo[2.2.2]octanyl)phenyl]benzonitrile CAS Name: 2-chloro-4-[2-(1-octyl-4-bicyclo[2.2.2]octanyl)phenyl]benzonitrile IUPAC Name: 2-chloro-4-[2-(1-octyl-4-bicyclo[2.2.2]octanyl)phenyl]benzonitrile Traditional Name: 2-chloro-4-[2-(1-octyl-4-bicyclo[2.2.2]octanyl)phenyl]benzonitrile Formula: C29H36ClN MolecularWeight: 434.05584

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC12CCC(CC1)(CC2)C3=CC=CC=C3C4=CC(=C(C=C4)C#N)Cl

Isomeric SMILES

CCCCCCCCC12CCC(CC1)(CC2)C3=CC=CC=C3C4=CC(=C(C=C4)C#N)Cl

InChI

InChI=1S/C29H36ClN/c1-2-3-4-5-6-9-14-28-15-18-29(19-16-28,20-17-28)26-11-8-7-10-25(26)23-12-13-24(22-31)27(30)21-23/h7-8,10-13,21H,2-6,9,14-20H2,1H3