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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC12CCC(CC1)(CC2)C3=C(C(=C(C=C3)C4=CC=C(C=C4)OCCCCCC)C#N)C#N

Isomeric SMILES

CCCCCCCC12CCC(CC1)(CC2)C3=C(C(=C(C=C3)C4=CC=C(C=C4)OCCCCCC)C#N)C#N

InChI

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