3-(4-heptoxyphenyl)-6-(1-hexyl-4-bicyclo[2.2.2]octanyl)benzene-1,2-dicarbonitrile

Systemtic Name: 3-(4-heptoxyphenyl)-6-(1-hexyl-4-bicyclo[2.2.2]octanyl)benzene-1,2-dicarbonitrile Openeye Name: 3-(4-heptoxyphenyl)-6-(1-hexyl-4-bicyclo[2.2.2]octanyl)phthalonitrile CAS Name: 3-(4-heptoxyphenyl)-6-(1-hexyl-4-bicyclo[2.2.2]octanyl)benzene-1,2-dicarbonitrile IUPAC Name: 3-(4-heptoxyphenyl)-6-(1-hexyl-4-bicyclo[2.2.2]octanyl)benzene-1,2-dicarbonitrile Traditional Name: 3-(4-heptoxyphenyl)-6-(1-hexyl-4-bicyclo[2.2.2]octanyl)phthalonitrile Formula: C35H46N2O MolecularWeight: 510.75254

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCOC1=CC=C(C=C1)C2=C(C(=C(C=C2)C34CCC(CC3)(CC4)CCCCCC)C#N)C#N

Isomeric SMILES

CCCCCCCOC1=CC=C(C=C1)C2=C(C(=C(C=C2)C34CCC(CC3)(CC4)CCCCCC)C#N)C#N

InChI

InChI=1S/C35H46N2O/c1-3-5-7-9-11-25-38-29-14-12-28(13-15-29)30-16-17-33(32(27-37)31(30)26-36)35-22-19-34(20-23-35,21-24-35)18-10-8-6-4-2/h12-17H,3-11,18-25H2,1-2H3