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

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

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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)OCCCC)C#N)C#N

Isomeric SMILES

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

InChI

InChI=1S/C29H30N2O/c1-3-5-7-8-22-9-11-23(12-10-22)26-17-18-27(29(21-31)28(26)20-30)24-13-15-25(16-14-24)32-19-6-4-2/h9-18H,3-8,19H2,1-2H3