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

Systemtic Name: 3-(4-ethoxyphenyl)-6-nonyl-benzene-1,2-dicarbonitrile Openeye Name: 3-(4-ethoxyphenyl)-6-nonyl-phthalonitrile CAS Name: 3-(4-ethoxyphenyl)-6-nonylbenzene-1,2-dicarbonitrile IUPAC Name: 3-(4-ethoxyphenyl)-6-nonylbenzene-1,2-dicarbonitrile Traditional Name: 3-nonyl-6-p-phenetyl-phthalonitrile Formula: C25H30N2O MolecularWeight: 374.5185

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCC1=C(C(=C(C=C1)C2=CC=C(C=C2)OCC)C#N)C#N

Isomeric SMILES

CCCCCCCCCC1=C(C(=C(C=C1)C2=CC=C(C=C2)OCC)C#N)C#N

InChI

InChI=1S/C25H30N2O/c1-3-5-6-7-8-9-10-11-20-14-17-23(25(19-27)24(20)18-26)21-12-15-22(16-13-21)28-4-2/h12-17H,3-11H2,1-2H3