3-ethyl-6-[4-(4-heptylphenyl)phenyl]benzene-1,2-dicarbonitrile

Systemtic Name: 3-ethyl-6-[4-(4-heptylphenyl)phenyl]benzene-1,2-dicarbonitrile Openeye Name: 3-ethyl-6-[4-(4-heptylphenyl)phenyl]phthalonitrile CAS Name: 3-ethyl-6-[4-(4-heptylphenyl)phenyl]benzene-1,2-dicarbonitrile IUPAC Name: 3-ethyl-6-[4-(4-heptylphenyl)phenyl]benzene-1,2-dicarbonitrile Traditional Name: 3-ethyl-6-[4-(4-heptylphenyl)phenyl]phthalonitrile Formula: C29H30N2 MolecularWeight: 406.5619

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C29H30N2/c1-3-5-6-7-8-9-22-10-12-24(13-11-22)25-14-16-26(17-15-25)27-19-18-23(4-2)28(20-30)29(27)21-31/h10-19H,3-9H2,1-2H3