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

Systemtic Name: 3-(3-bromanyl-4-pentyl-phenyl)-6-(1-pentyl-4-bicyclo[2.2.2]octanyl)benzene-1,2-dicarbonitrile Openeye Name: 3-(3-bromo-4-pentyl-phenyl)-6-(1-pentyl-4-bicyclo[2.2.2]octanyl)phthalonitrile CAS Name: 3-(3-bromo-4-pentylphenyl)-6-(1-pentyl-4-bicyclo[2.2.2]octanyl)benzene-1,2-dicarbonitrile IUPAC Name: 3-(3-bromo-4-pentylphenyl)-6-(1-pentyl-4-bicyclo[2.2.2]octanyl)benzene-1,2-dicarbonitrile Traditional Name: 3-(1-amyl-4-bicyclo[2.2.2]octanyl)-6-(4-amyl-3-bromo-phenyl)phthalonitrile Formula: C32H39BrN2 MolecularWeight: 531.56946

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1=C(C=C(C=C1)C2=C(C(=C(C=C2)C34CCC(CC3)(CC4)CCCCC)C#N)C#N)Br

Isomeric SMILES

CCCCCC1=C(C=C(C=C1)C2=C(C(=C(C=C2)C34CCC(CC3)(CC4)CCCCC)C#N)C#N)Br

InChI

InChI=1S/C32H39BrN2/c1-3-5-7-9-24-10-11-25(21-30(24)33)26-12-13-29(28(23-35)27(26)22-34)32-18-15-31(16-19-32,17-20-32)14-8-6-4-2/h10-13,21H,3-9,14-20H2,1-2H3