3-(4-heptylcyclohexyl)-6-(4-methylphenyl)benzene-1,2-dicarbonitrile

Systemtic Name: 3-(4-heptylcyclohexyl)-6-(4-methylphenyl)benzene-1,2-dicarbonitrile Openeye Name: 3-(4-heptylcyclohexyl)-6-(p-tolyl)phthalonitrile CAS Name: 3-(4-heptylcyclohexyl)-6-(4-methylphenyl)benzene-1,2-dicarbonitrile IUPAC Name: 3-(4-heptylcyclohexyl)-6-(4-methylphenyl)benzene-1,2-dicarbonitrile Traditional Name: 3-(4-heptylcyclohexyl)-6-(p-tolyl)phthalonitrile Formula: C28H34N2 MolecularWeight: 398.58296

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC1CCC(CC1)C2=C(C(=C(C=C2)C3=CC=C(C=C3)C)C#N)C#N

Isomeric SMILES

CCCCCCCC1CCC(CC1)C2=C(C(=C(C=C2)C3=CC=C(C=C3)C)C#N)C#N

InChI

InChI=1S/C28H34N2/c1-3-4-5-6-7-8-22-11-15-24(16-12-22)26-18-17-25(27(19-29)28(26)20-30)23-13-9-21(2)10-14-23/h9-10,13-14,17-18,22,24H,3-8,11-12,15-16H2,1-2H3