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

Systemtic Name: 3-(4-pentoxyphenyl)-6-(4-propoxyphenyl)benzene-1,2-dicarbonitrile Openeye Name: 3-(4-pentoxyphenyl)-6-(4-propoxyphenyl)phthalonitrile CAS Name: 3-(4-pentoxyphenyl)-6-(4-propoxyphenyl)benzene-1,2-dicarbonitrile IUPAC Name: 3-(4-pentoxyphenyl)-6-(4-propoxyphenyl)benzene-1,2-dicarbonitrile Traditional Name: 3-(4-amoxyphenyl)-6-(4-propoxyphenyl)phthalonitrile Formula: C28H28N2O2 MolecularWeight: 424.53412

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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)OCCC)C#N)C#N

Isomeric SMILES

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

InChI

InChI=1S/C28H28N2O2/c1-3-5-6-18-32-24-13-9-22(10-14-24)26-16-15-25(27(19-29)28(26)20-30)21-7-11-23(12-8-21)31-17-4-2/h7-16H,3-6,17-18H2,1-2H3