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

Systemtic Name: 3-(4-ethoxyphenyl)-6-[4-(4-heptylcyclohexyl)phenyl]benzene-1,2-dicarbonitrile Openeye Name: 3-(4-ethoxyphenyl)-6-[4-(4-heptylcyclohexyl)phenyl]phthalonitrile CAS Name: 3-(4-ethoxyphenyl)-6-[4-(4-heptylcyclohexyl)phenyl]benzene-1,2-dicarbonitrile IUPAC Name: 3-(4-ethoxyphenyl)-6-[4-(4-heptylcyclohexyl)phenyl]benzene-1,2-dicarbonitrile Traditional Name: 3-[4-(4-heptylcyclohexyl)phenyl]-6-p-phenetyl-phthalonitrile Formula: C35H40N2O MolecularWeight: 504.7049

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC1CCC(CC1)C2=CC=C(C=C2)C3=C(C(=C(C=C3)C4=CC=C(C=C4)OCC)C#N)C#N

Isomeric SMILES

CCCCCCCC1CCC(CC1)C2=CC=C(C=C2)C3=C(C(=C(C=C3)C4=CC=C(C=C4)OCC)C#N)C#N

InChI

InChI=1S/C35H40N2O/c1-3-5-6-7-8-9-26-10-12-27(13-11-26)28-14-16-29(17-15-28)32-22-23-33(35(25-37)34(32)24-36)30-18-20-31(21-19-30)38-4-2/h14-23,26-27H,3-13H2,1-2H3