4-methoxy-3,6-bis(1-pentyl-4-bicyclo[2.2.2]octanyl)benzene-1,2-dicarbonitrile

Systemtic Name: 4-methoxy-3,6-bis(1-pentyl-4-bicyclo[2.2.2]octanyl)benzene-1,2-dicarbonitrile Openeye Name: 4-methoxy-3,6-bis(1-pentyl-4-bicyclo[2.2.2]octanyl)phthalonitrile CAS Name: 4-methoxy-3,6-bis(1-pentyl-4-bicyclo[2.2.2]octanyl)benzene-1,2-dicarbonitrile IUPAC Name: 4-methoxy-3,6-bis(1-pentyl-4-bicyclo[2.2.2]octanyl)benzene-1,2-dicarbonitrile Traditional Name: 3,6-bis(1-amyl-4-bicyclo[2.2.2]octanyl)-4-methoxy-phthalonitrile Formula: C35H50N2O MolecularWeight: 514.7843

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC12CCC(CC1)(CC2)C3=CC(=C(C(=C3C#N)C#N)C45CCC(CC4)(CC5)CCCCC)OC

Isomeric SMILES

CCCCCC12CCC(CC1)(CC2)C3=CC(=C(C(=C3C#N)C#N)C45CCC(CC4)(CC5)CCCCC)OC

InChI

InChI=1S/C35H50N2O/c1-4-6-8-10-32-12-18-34(19-13-32,20-14-32)29-24-30(38-3)31(28(26-37)27(29)25-36)35-21-15-33(16-22-35,17-23-35)11-9-7-5-2/h24H,4-23H2,1-3H3