1-butyl-4-[4-(4-hexylphenyl)phenyl]cyclohexane-1-carbonitrile

Systemtic Name: 1-butyl-4-[4-(4-hexylphenyl)phenyl]cyclohexane-1-carbonitrile Openeye Name: 1-butyl-4-[4-(4-hexylphenyl)phenyl]cyclohexanecarbonitrile CAS Name: 1-butyl-4-[4-(4-hexylphenyl)phenyl]-1-cyclohexanecarbonitrile IUPAC Name: 1-butyl-4-[4-(4-hexylphenyl)phenyl]cyclohexane-1-carbonitrile Traditional Name: 1-butyl-4-[4-(4-hexylphenyl)phenyl]cyclohexanecarbonitrile Formula: C29H39N MolecularWeight: 401.62666

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1=CC=C(C=C1)C2=CC=C(C=C2)C3CCC(CC3)(CCCC)C#N

Isomeric SMILES

CCCCCCC1=CC=C(C=C1)C2=CC=C(C=C2)C3CCC(CC3)(CCCC)C#N

InChI

InChI=1S/C29H39N/c1-3-5-7-8-9-24-10-12-25(13-11-24)26-14-16-27(17-15-26)28-18-21-29(23-30,22-19-28)20-6-4-2/h10-17,28H,3-9,18-22H2,1-2H3