4-[3,5-ditert-butyl-4-(hexoxymethoxy)phenyl]benzene-1,2-dicarbonitrile

Systemtic Name: 4-[3,5-ditert-butyl-4-(hexoxymethoxy)phenyl]benzene-1,2-dicarbonitrile Openeye Name: 4-[3,5-ditert-butyl-4-(hexoxymethoxy)phenyl]phthalonitrile CAS Name: 4-[3,5-ditert-butyl-4-(hexoxymethoxy)phenyl]benzene-1,2-dicarbonitrile IUPAC Name: 4-[3,5-ditert-butyl-4-(hexoxymethoxy)phenyl]benzene-1,2-dicarbonitrile Traditional Name: 4-[3,5-ditert-butyl-4-(hexoxymethoxy)phenyl]phthalonitrile Formula: C29H38N2O2 MolecularWeight: 446.62422

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOCOC1=C(C=C(C=C1C(C)(C)C)C2=CC(=C(C=C2)C#N)C#N)C(C)(C)C

Isomeric SMILES

CCCCCCOCOC1=C(C=C(C=C1C(C)(C)C)C2=CC(=C(C=C2)C#N)C#N)C(C)(C)C

InChI

InChI=1S/C29H38N2O2/c1-8-9-10-11-14-32-20-33-27-25(28(2,3)4)16-23(17-26(27)29(5,6)7)21-12-13-22(18-30)24(15-21)19-31/h12-13,15-17H,8-11,14,20H2,1-7H3