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

Systemtic Name: 3-(4-heptoxyphenyl)-6-[4-(4-propylcyclohexyl)phenyl]benzene-1,2-dicarbonitrile Openeye Name: 3-(4-heptoxyphenyl)-6-[4-(4-propylcyclohexyl)phenyl]phthalonitrile CAS Name: 3-(4-heptoxyphenyl)-6-[4-(4-propylcyclohexyl)phenyl]benzene-1,2-dicarbonitrile IUPAC Name: 3-(4-heptoxyphenyl)-6-[4-(4-propylcyclohexyl)phenyl]benzene-1,2-dicarbonitrile Traditional Name: 3-(4-heptoxyphenyl)-6-[4-(4-propylcyclohexyl)phenyl]phthalonitrile Formula: C36H42N2O MolecularWeight: 518.73148

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCOC1=CC=C(C=C1)C2=C(C(=C(C=C2)C3=CC=C(C=C3)C4CCC(CC4)CCC)C#N)C#N

Isomeric SMILES

CCCCCCCOC1=CC=C(C=C1)C2=C(C(=C(C=C2)C3=CC=C(C=C3)C4CCC(CC4)CCC)C#N)C#N

InChI

InChI=1S/C36H42N2O/c1-3-5-6-7-8-24-39-32-20-18-31(19-21-32)34-23-22-33(35(25-37)36(34)26-38)30-16-14-29(15-17-30)28-12-10-27(9-4-2)11-13-28/h14-23,27-28H,3-13,24H2,1-2H3