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

Systemtic Name: 3-(4-heptylphenyl)-6-(4-propoxyphenyl)benzene-1,2-dicarbonitrile Openeye Name: 3-(4-heptylphenyl)-6-(4-propoxyphenyl)phthalonitrile CAS Name: 3-(4-heptylphenyl)-6-(4-propoxyphenyl)benzene-1,2-dicarbonitrile IUPAC Name: 3-(4-heptylphenyl)-6-(4-propoxyphenyl)benzene-1,2-dicarbonitrile Traditional Name: 3-(4-heptylphenyl)-6-(4-propoxyphenyl)phthalonitrile Formula: C30H32N2O MolecularWeight: 436.58788

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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)OCCC)C#N)C#N

Isomeric SMILES

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

InChI

InChI=1S/C30H32N2O/c1-3-5-6-7-8-9-23-10-12-24(13-11-23)27-18-19-28(30(22-32)29(27)21-31)25-14-16-26(17-15-25)33-20-4-2/h10-19H,3-9,20H2,1-2H3