5-(4-hexoxyphenyl)-3-(4-methoxyphenyl)benzene-1,2-dicarbonitrile

Systemtic Name: 5-(4-hexoxyphenyl)-3-(4-methoxyphenyl)benzene-1,2-dicarbonitrile Openeye Name: 5-(4-hexoxyphenyl)-3-(4-methoxyphenyl)phthalonitrile CAS Name: 5-(4-hexoxyphenyl)-3-(4-methoxyphenyl)benzene-1,2-dicarbonitrile IUPAC Name: 5-(4-hexoxyphenyl)-3-(4-methoxyphenyl)benzene-1,2-dicarbonitrile Traditional Name: 5-(4-hexoxyphenyl)-3-(4-methoxyphenyl)phthalonitrile Formula: C27H26N2O2 MolecularWeight: 410.50754

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC1=CC=C(C=C1)C2=CC(=C(C(=C2)C#N)C#N)C3=CC=C(C=C3)OC

Isomeric SMILES

CCCCCCOC1=CC=C(C=C1)C2=CC(=C(C(=C2)C#N)C#N)C3=CC=C(C=C3)OC

InChI

InChI=1S/C27H26N2O2/c1-3-4-5-6-15-31-25-13-7-20(8-14-25)22-16-23(18-28)27(19-29)26(17-22)21-9-11-24(30-2)12-10-21/h7-14,16-17H,3-6,15H2,1-2H3