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

Systemtic Name: 3-(4-ethoxyphenyl)-6-(4-pentylphenyl)benzene-1,2-dicarbonitrile Openeye Name: 3-(4-ethoxyphenyl)-6-(4-pentylphenyl)phthalonitrile CAS Name: 3-(4-ethoxyphenyl)-6-(4-pentylphenyl)benzene-1,2-dicarbonitrile IUPAC Name: 3-(4-ethoxyphenyl)-6-(4-pentylphenyl)benzene-1,2-dicarbonitrile Traditional Name: 3-(4-amylphenyl)-6-p-phenetyl-phthalonitrile Formula: C27H26N2O MolecularWeight: 394.50814

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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)OCC)C#N)C#N

Isomeric SMILES

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

InChI

InChI=1S/C27H26N2O/c1-3-5-6-7-20-8-10-21(11-9-20)24-16-17-25(27(19-29)26(24)18-28)22-12-14-23(15-13-22)30-4-2/h8-17H,3-7H2,1-2H3