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

Systemtic Name: 2-chloranyl-4-(1-dodecyl-4-bicyclo[2.2.2]octanyl)benzenecarbonitrile Openeye Name: 2-chloro-4-(1-dodecyl-4-bicyclo[2.2.2]octanyl)benzonitrile CAS Name: 2-chloro-4-(1-dodecyl-4-bicyclo[2.2.2]octanyl)benzonitrile IUPAC Name: 2-chloro-4-(1-dodecyl-4-bicyclo[2.2.2]octanyl)benzonitrile Traditional Name: 2-chloro-4-(1-lauryl-4-bicyclo[2.2.2]octanyl)benzonitrile Formula: C27H40ClN MolecularWeight: 414.0662

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H40ClN/c1-2-3-4-5-6-7-8-9-10-11-14-26-15-18-27(19-16-26,20-17-26)24-13-12-23(22-29)25(28)21-24/h12-13,21H,2-11,14-20H2,1H3