3-butyl-6-(4-hexoxyphenyl)benzene-1,2-dicarbonitrile

Systemtic Name: 3-butyl-6-(4-hexoxyphenyl)benzene-1,2-dicarbonitrile Openeye Name: 3-butyl-6-(4-hexoxyphenyl)phthalonitrile CAS Name: 3-butyl-6-(4-hexoxyphenyl)benzene-1,2-dicarbonitrile IUPAC Name: 3-butyl-6-(4-hexoxyphenyl)benzene-1,2-dicarbonitrile Traditional Name: 3-butyl-6-(4-hexoxyphenyl)phthalonitrile Formula: C24H28N2O MolecularWeight: 360.49192

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC1=CC=C(C=C1)C2=C(C(=C(C=C2)CCCC)C#N)C#N

Isomeric SMILES

CCCCCCOC1=CC=C(C=C1)C2=C(C(=C(C=C2)CCCC)C#N)C#N

InChI

InChI=1S/C24H28N2O/c1-3-5-7-8-16-27-21-13-10-20(11-14-21)22-15-12-19(9-6-4-2)23(17-25)24(22)18-26/h10-15H,3-9,16H2,1-2H3