3-(4-methoxyphenyl)-6-(4-octylphenyl)benzene-1,2-dicarbonitrile

Systemtic Name: 3-(4-methoxyphenyl)-6-(4-octylphenyl)benzene-1,2-dicarbonitrile Openeye Name: 3-(4-methoxyphenyl)-6-(4-octylphenyl)phthalonitrile CAS Name: 3-(4-methoxyphenyl)-6-(4-octylphenyl)benzene-1,2-dicarbonitrile IUPAC Name: 3-(4-methoxyphenyl)-6-(4-octylphenyl)benzene-1,2-dicarbonitrile Traditional Name: 3-(4-methoxyphenyl)-6-(4-octylphenyl)phthalonitrile Formula: C29H30N2O MolecularWeight: 422.5613

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC1=CC=C(C=C1)C2=C(C(=C(C=C2)C3=CC=C(C=C3)OC)C#N)C#N

Isomeric SMILES

CCCCCCCCC1=CC=C(C=C1)C2=C(C(=C(C=C2)C3=CC=C(C=C3)OC)C#N)C#N

InChI

InChI=1S/C29H30N2O/c1-3-4-5-6-7-8-9-22-10-12-23(13-11-22)26-18-19-27(29(21-31)28(26)20-30)24-14-16-25(32-2)17-15-24/h10-19H,3-9H2,1-2H3