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

Systemtic Name: 3-(4-butoxyphenyl)-6-(4-propoxyphenyl)benzene-1,2-dicarbonitrile Openeye Name: 3-(4-butoxyphenyl)-6-(4-propoxyphenyl)phthalonitrile CAS Name: 3-(4-butoxyphenyl)-6-(4-propoxyphenyl)benzene-1,2-dicarbonitrile IUPAC Name: 3-(4-butoxyphenyl)-6-(4-propoxyphenyl)benzene-1,2-dicarbonitrile Traditional Name: 3-(4-butoxyphenyl)-6-(4-propoxyphenyl)phthalonitrile Formula: C27H26N2O2 MolecularWeight: 410.50754

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)C2=C(C(=C(C=C2)C3=CC=C(C=C3)OCCC)C#N)C#N

Isomeric SMILES

CCCCOC1=CC=C(C=C1)C2=C(C(=C(C=C2)C3=CC=C(C=C3)OCCC)C#N)C#N

InChI

InChI=1S/C27H26N2O2/c1-3-5-17-31-23-12-8-21(9-13-23)25-15-14-24(26(18-28)27(25)19-29)20-6-10-22(11-7-20)30-16-4-2/h6-15H,3-5,16-17H2,1-2H3