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

Systemtic Name: 4-[4-(4-heptylphenyl)phenyl]-4-hexyl-cyclohexane-1-carbonitrile Openeye Name: 4-[4-(4-heptylphenyl)phenyl]-4-hexyl-cyclohexanecarbonitrile CAS Name: 4-[4-(4-heptylphenyl)phenyl]-4-hexyl-1-cyclohexanecarbonitrile IUPAC Name: 4-[4-(4-heptylphenyl)phenyl]-4-hexylcyclohexane-1-carbonitrile Traditional Name: 4-[4-(4-heptylphenyl)phenyl]-4-hexyl-cyclohexanecarbonitrile Formula: C32H45N MolecularWeight: 443.7064

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC1=CC=C(C=C1)C2=CC=C(C=C2)C3(CCC(CC3)C#N)CCCCCC

Isomeric SMILES

CCCCCCCC1=CC=C(C=C1)C2=CC=C(C=C2)C3(CCC(CC3)C#N)CCCCCC

InChI

InChI=1S/C32H45N/c1-3-5-7-9-10-12-27-13-15-29(16-14-27)30-17-19-31(20-18-30)32(23-11-8-6-4-2)24-21-28(26-33)22-25-32/h13-20,28H,3-12,21-25H2,1-2H3