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

Systemtic Name: 3-(4-ethoxyphenyl)-6-octyl-benzene-1,2-dicarbonitrile Openeye Name: 3-(4-ethoxyphenyl)-6-octyl-phthalonitrile CAS Name: 3-(4-ethoxyphenyl)-6-octylbenzene-1,2-dicarbonitrile IUPAC Name: 3-(4-ethoxyphenyl)-6-octylbenzene-1,2-dicarbonitrile Traditional Name: 3-octyl-6-p-phenetyl-phthalonitrile Formula: C24H28N2O MolecularWeight: 360.49192

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC1=C(C(=C(C=C1)C2=CC=C(C=C2)OCC)C#N)C#N

Isomeric SMILES

CCCCCCCCC1=C(C(=C(C=C1)C2=CC=C(C=C2)OCC)C#N)C#N

InChI

InChI=1S/C24H28N2O/c1-3-5-6-7-8-9-10-19-13-16-22(24(18-26)23(19)17-25)20-11-14-21(15-12-20)27-4-2/h11-16H,3-10H2,1-2H3