3,4-bis(4-butoxyphenyl)benzene-1,2-dicarbonitrile

Systemtic Name: 3,4-bis(4-butoxyphenyl)benzene-1,2-dicarbonitrile Openeye Name: 3,4-bis(4-butoxyphenyl)phthalonitrile CAS Name: 3,4-bis(4-butoxyphenyl)benzene-1,2-dicarbonitrile IUPAC Name: 3,4-bis(4-butoxyphenyl)benzene-1,2-dicarbonitrile Traditional Name: 3,4-bis(4-butoxyphenyl)phthalonitrile Formula: C28H28N2O2 MolecularWeight: 424.53412

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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