3-(4-ethoxyphenyl)-6-hexyl-benzene-1,2-dicarbonitrile

Systemtic Name: 3-(4-ethoxyphenyl)-6-hexyl-benzene-1,2-dicarbonitrile Openeye Name: 3-(4-ethoxyphenyl)-6-hexyl-phthalonitrile CAS Name: 3-(4-ethoxyphenyl)-6-hexylbenzene-1,2-dicarbonitrile IUPAC Name: 3-(4-ethoxyphenyl)-6-hexylbenzene-1,2-dicarbonitrile Traditional Name: 3-hexyl-6-p-phenetyl-phthalonitrile Formula: C22H24N2O MolecularWeight: 332.43876

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1=C(C(=C(C=C1)C2=CC=C(C=C2)OCC)C#N)C#N

Isomeric SMILES

CCCCCCC1=C(C(=C(C=C1)C2=CC=C(C=C2)OCC)C#N)C#N

InChI

InChI=1S/C22H24N2O/c1-3-5-6-7-8-17-11-14-20(22(16-24)21(17)15-23)18-9-12-19(13-10-18)25-4-2/h9-14H,3-8H2,1-2H3