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

Systemtic Name: 3-(4-heptylphenyl)-6-(4-methoxyphenyl)benzene-1,2-dicarbonitrile Openeye Name: 3-(4-heptylphenyl)-6-(4-methoxyphenyl)phthalonitrile CAS Name: 3-(4-heptylphenyl)-6-(4-methoxyphenyl)benzene-1,2-dicarbonitrile IUPAC Name: 3-(4-heptylphenyl)-6-(4-methoxyphenyl)benzene-1,2-dicarbonitrile Traditional Name: 3-(4-heptylphenyl)-6-(4-methoxyphenyl)phthalonitrile Formula: C28H28N2O MolecularWeight: 408.53472

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC1=CC=C(C=C1)C2=C(C(=C(C=C2)C3=CC=C(C=C3)OC)C#N)C#N

Isomeric SMILES

CCCCCCCC1=CC=C(C=C1)C2=C(C(=C(C=C2)C3=CC=C(C=C3)OC)C#N)C#N

InChI

InChI=1S/C28H28N2O/c1-3-4-5-6-7-8-21-9-11-22(12-10-21)25-17-18-26(28(20-30)27(25)19-29)23-13-15-24(31-2)16-14-23/h9-18H,3-8H2,1-2H3