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

Systemtic Name: 2-chloranyl-4-[2-(1-dodecyl-4-bicyclo[2.2.2]octanyl)phenyl]benzenecarbonitrile Openeye Name: 2-chloro-4-[2-(1-dodecyl-4-bicyclo[2.2.2]octanyl)phenyl]benzonitrile CAS Name: 2-chloro-4-[2-(1-dodecyl-4-bicyclo[2.2.2]octanyl)phenyl]benzonitrile IUPAC Name: 2-chloro-4-[2-(1-dodecyl-4-bicyclo[2.2.2]octanyl)phenyl]benzonitrile Traditional Name: 2-chloro-4-[2-(1-lauryl-4-bicyclo[2.2.2]octanyl)phenyl]benzonitrile Formula: C33H44ClN MolecularWeight: 490.16216

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCC12CCC(CC1)(CC2)C3=CC=CC=C3C4=CC(=C(C=C4)C#N)Cl

Isomeric SMILES

CCCCCCCCCCCCC12CCC(CC1)(CC2)C3=CC=CC=C3C4=CC(=C(C=C4)C#N)Cl

InChI

InChI=1S/C33H44ClN/c1-2-3-4-5-6-7-8-9-10-13-18-32-19-22-33(23-20-32,24-21-32)30-15-12-11-14-29(30)27-16-17-28(26-35)31(34)25-27/h11-12,14-17,25H,2-10,13,18-24H2,1H3