3-(4-butylphenyl)-6-(4-pentylphenyl)benzene-1,2-dicarbonitrile

Systemtic Name: 3-(4-butylphenyl)-6-(4-pentylphenyl)benzene-1,2-dicarbonitrile Openeye Name: 3-(4-butylphenyl)-6-(4-pentylphenyl)phthalonitrile CAS Name: 3-(4-butylphenyl)-6-(4-pentylphenyl)benzene-1,2-dicarbonitrile IUPAC Name: 3-(4-butylphenyl)-6-(4-pentylphenyl)benzene-1,2-dicarbonitrile Traditional Name: 3-(4-amylphenyl)-6-(4-butylphenyl)phthalonitrile Formula: C29H30N2 MolecularWeight: 406.5619

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1=CC=C(C=C1)C2=C(C(=C(C=C2)C3=CC=C(C=C3)CCCC)C#N)C#N

Isomeric SMILES

CCCCCC1=CC=C(C=C1)C2=C(C(=C(C=C2)C3=CC=C(C=C3)CCCC)C#N)C#N

InChI

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