1-hexyl-4-[4-(4-octylphenyl)phenyl]cyclohexane-1-carbonitrile

Systemtic Name: 1-hexyl-4-[4-(4-octylphenyl)phenyl]cyclohexane-1-carbonitrile Openeye Name: 1-hexyl-4-[4-(4-octylphenyl)phenyl]cyclohexanecarbonitrile CAS Name: 1-hexyl-4-[4-(4-octylphenyl)phenyl]-1-cyclohexanecarbonitrile IUPAC Name: 1-hexyl-4-[4-(4-octylphenyl)phenyl]cyclohexane-1-carbonitrile Traditional Name: 1-hexyl-4-[4-(4-octylphenyl)phenyl]cyclohexanecarbonitrile Formula: C33H47N MolecularWeight: 457.73298

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC1=CC=C(C=C1)C2=CC=C(C=C2)C3CCC(CC3)(CCCCCC)C#N

Isomeric SMILES

CCCCCCCCC1=CC=C(C=C1)C2=CC=C(C=C2)C3CCC(CC3)(CCCCCC)C#N

InChI

InChI=1S/C33H47N/c1-3-5-7-9-10-11-13-28-14-16-29(17-15-28)30-18-20-31(21-19-30)32-22-25-33(27-34,26-23-32)24-12-8-6-4-2/h14-21,32H,3-13,22-26H2,1-2H3