3-(4-pentoxyphenyl)-6-(4-propylphenyl)benzene-1,2-dicarbonitrile

Systemtic Name: 3-(4-pentoxyphenyl)-6-(4-propylphenyl)benzene-1,2-dicarbonitrile Openeye Name: 3-(4-pentoxyphenyl)-6-(4-propylphenyl)phthalonitrile CAS Name: 3-(4-pentoxyphenyl)-6-(4-propylphenyl)benzene-1,2-dicarbonitrile IUPAC Name: 3-(4-pentoxyphenyl)-6-(4-propylphenyl)benzene-1,2-dicarbonitrile Traditional Name: 3-(4-amoxyphenyl)-6-(4-propylphenyl)phthalonitrile Formula: C28H28N2O MolecularWeight: 408.53472

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCOC1=CC=C(C=C1)C2=C(C(=C(C=C2)C3=CC=C(C=C3)CCC)C#N)C#N

Isomeric SMILES

CCCCCOC1=CC=C(C=C1)C2=C(C(=C(C=C2)C3=CC=C(C=C3)CCC)C#N)C#N

InChI

InChI=1S/C28H28N2O/c1-3-5-6-18-31-24-14-12-23(13-15-24)26-17-16-25(27(19-29)28(26)20-30)22-10-8-21(7-4-2)9-11-22/h8-17H,3-7,18H2,1-2H3