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

Systemtic Name: 3,6-bis(4-butoxyphenyl)benzene-1,2-dicarbonitrile Openeye Name: 3,6-bis(4-butoxyphenyl)phthalonitrile CAS Name: 3,6-bis(4-butoxyphenyl)benzene-1,2-dicarbonitrile IUPAC Name: 3,6-bis(4-butoxyphenyl)benzene-1,2-dicarbonitrile Traditional Name: 3,6-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)C3=CC=C(C=C3)OCCCC)C#N)C#N

Isomeric SMILES

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

InChI

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