3-[4-(4-heptylcyclohexyl)phenyl]-6-(4-propylcyclohexyl)benzene-1,2-dicarbonitrile

Systemtic Name: 3-[4-(4-heptylcyclohexyl)phenyl]-6-(4-propylcyclohexyl)benzene-1,2-dicarbonitrile Openeye Name: 3-[4-(4-heptylcyclohexyl)phenyl]-6-(4-propylcyclohexyl)phthalonitrile CAS Name: 3-[4-(4-heptylcyclohexyl)phenyl]-6-(4-propylcyclohexyl)benzene-1,2-dicarbonitrile IUPAC Name: 3-[4-(4-heptylcyclohexyl)phenyl]-6-(4-propylcyclohexyl)benzene-1,2-dicarbonitrile Traditional Name: 3-[4-(4-heptylcyclohexyl)phenyl]-6-(4-propylcyclohexyl)phthalonitrile Formula: C36H48N2 MolecularWeight: 508.77972

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC1CCC(CC1)C2=CC=C(C=C2)C3=C(C(=C(C=C3)C4CCC(CC4)CCC)C#N)C#N

Isomeric SMILES

CCCCCCCC1CCC(CC1)C2=CC=C(C=C2)C3=C(C(=C(C=C3)C4CCC(CC4)CCC)C#N)C#N

InChI

InChI=1S/C36H48N2/c1-3-5-6-7-8-10-28-11-15-29(16-12-28)30-19-21-32(22-20-30)34-24-23-33(35(25-37)36(34)26-38)31-17-13-27(9-4-2)14-18-31/h19-24,27-29,31H,3-18H2,1-2H3