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

Systemtic Name: 4-(4-octylphenyl)cyclohexane-1-carbonitrile Openeye Name: 4-(4-octylphenyl)cyclohexanecarbonitrile CAS Name: 4-(4-octylphenyl)-1-cyclohexanecarbonitrile IUPAC Name: 4-(4-octylphenyl)cyclohexane-1-carbonitrile Traditional Name: 4-(4-octylphenyl)cyclohexanecarbonitrile Formula: C21H31N MolecularWeight: 297.47754

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H31N/c1-2-3-4-5-6-7-8-18-9-13-20(14-10-18)21-15-11-19(17-22)12-16-21/h9-10,13-14,19,21H,2-8,11-12,15-16H2,1H3