4,5-diheptylbenzene-1,2-dicarbonitrile

Systemtic Name: 4,5-diheptylbenzene-1,2-dicarbonitrile Openeye Name: 4,5-diheptylphthalonitrile CAS Name: 4,5-diheptylbenzene-1,2-dicarbonitrile IUPAC Name: 4,5-diheptylbenzene-1,2-dicarbonitrile Traditional Name: 4,5-diheptylphthalonitrile Formula: C22H32N2 MolecularWeight: 324.50288

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC1=C(C=C(C(=C1)C#N)C#N)CCCCCCC

Isomeric SMILES

CCCCCCCC1=C(C=C(C(=C1)C#N)C#N)CCCCCCC

InChI

InChI=1S/C22H32N2/c1-3-5-7-9-11-13-19-15-21(17-23)22(18-24)16-20(19)14-12-10-8-6-4-2/h15-16H,3-14H2,1-2H3