3-(4-butan-2-ylphenyl)-6-(4-butylcyclohexyl)benzene-1,2-dicarbonitrile

Systemtic Name: 3-(4-butan-2-ylphenyl)-6-(4-butylcyclohexyl)benzene-1,2-dicarbonitrile Openeye Name: 3-(4-butylcyclohexyl)-6-(4-sec-butylphenyl)phthalonitrile CAS Name: 3-(4-butan-2-ylphenyl)-6-(4-butylcyclohexyl)benzene-1,2-dicarbonitrile IUPAC Name: 3-(4-butan-2-ylphenyl)-6-(4-butylcyclohexyl)benzene-1,2-dicarbonitrile Traditional Name: 3-(4-butylcyclohexyl)-6-(4-sec-butylphenyl)phthalonitrile Formula: C28H34N2 MolecularWeight: 398.58296

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1CCC(CC1)C2=C(C(=C(C=C2)C3=CC=C(C=C3)C(C)CC)C#N)C#N

Isomeric SMILES

CCCCC1CCC(CC1)C2=C(C(=C(C=C2)C3=CC=C(C=C3)C(C)CC)C#N)C#N

InChI

InChI=1S/C28H34N2/c1-4-6-7-21-8-10-23(11-9-21)25-16-17-26(28(19-30)27(25)18-29)24-14-12-22(13-15-24)20(3)5-2/h12-17,20-21,23H,4-11H2,1-3H3