4-(2-methyl-4-octyl-cyclohexyl)benzenecarbonitrile

Systemtic Name: 4-(2-methyl-4-octyl-cyclohexyl)benzenecarbonitrile Openeye Name: 4-(2-methyl-4-octyl-cyclohexyl)benzonitrile CAS Name: 4-(2-methyl-4-octylcyclohexyl)benzonitrile IUPAC Name: 4-(2-methyl-4-octylcyclohexyl)benzonitrile Traditional Name: 4-(2-methyl-4-octyl-cyclohexyl)benzonitrile Formula: C22H33N MolecularWeight: 311.50412

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC1CCC(C(C1)C)C2=CC=C(C=C2)C#N

Isomeric SMILES

CCCCCCCCC1CCC(C(C1)C)C2=CC=C(C=C2)C#N

InChI

InChI=1S/C22H33N/c1-3-4-5-6-7-8-9-19-12-15-22(18(2)16-19)21-13-10-20(17-23)11-14-21/h10-11,13-14,18-19,22H,3-9,12,15-16H2,1-2H3