4-(3-methyl-4-octyl-cyclohexyl)benzenecarbonitrile

Systemtic Name: 4-(3-methyl-4-octyl-cyclohexyl)benzenecarbonitrile Openeye Name: 4-(3-methyl-4-octyl-cyclohexyl)benzonitrile CAS Name: 4-(3-methyl-4-octylcyclohexyl)benzonitrile IUPAC Name: 4-(3-methyl-4-octylcyclohexyl)benzonitrile Traditional Name: 4-(3-methyl-4-octyl-cyclohexyl)benzonitrile Formula: C22H33N MolecularWeight: 311.50412

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC1CCC(CC1C)C2=CC=C(C=C2)C#N

Isomeric SMILES

CCCCCCCCC1CCC(CC1C)C2=CC=C(C=C2)C#N

InChI

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