1-octyl-4-(4-octylphenyl)cyclohexane-1-carbonitrile

Systemtic Name: 1-octyl-4-(4-octylphenyl)cyclohexane-1-carbonitrile Openeye Name: 1-octyl-4-(4-octylphenyl)cyclohexanecarbonitrile CAS Name: 1-octyl-4-(4-octylphenyl)-1-cyclohexanecarbonitrile IUPAC Name: 1-octyl-4-(4-octylphenyl)cyclohexane-1-carbonitrile Traditional Name: 1-octyl-4-(4-octylphenyl)cyclohexanecarbonitrile Formula: C29H47N MolecularWeight: 409.69018

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC1=CC=C(C=C1)C2CCC(CC2)(CCCCCCCC)C#N

Isomeric SMILES

CCCCCCCCC1=CC=C(C=C1)C2CCC(CC2)(CCCCCCCC)C#N

InChI

InChI=1S/C29H47N/c1-3-5-7-9-11-13-15-26-16-18-27(19-17-26)28-20-23-29(25-30,24-21-28)22-14-12-10-8-6-4-2/h16-19,28H,3-15,20-24H2,1-2H3