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

Systemtic Name: 3-(4-ethoxyphenyl)-6-heptyl-benzene-1,2-dicarbonitrile Openeye Name: 3-(4-ethoxyphenyl)-6-heptyl-phthalonitrile CAS Name: 3-(4-ethoxyphenyl)-6-heptylbenzene-1,2-dicarbonitrile IUPAC Name: 3-(4-ethoxyphenyl)-6-heptylbenzene-1,2-dicarbonitrile Traditional Name: 3-heptyl-6-p-phenetyl-phthalonitrile Formula: C23H26N2O MolecularWeight: 346.46534

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC1=C(C(=C(C=C1)C2=CC=C(C=C2)OCC)C#N)C#N

Isomeric SMILES

CCCCCCCC1=C(C(=C(C=C1)C2=CC=C(C=C2)OCC)C#N)C#N

InChI

InChI=1S/C23H26N2O/c1-3-5-6-7-8-9-18-12-15-21(23(17-25)22(18)16-24)19-10-13-20(14-11-19)26-4-2/h10-15H,3-9H2,1-2H3