4,5-bis(hept-1-ynyl)benzene-1,2-dicarbonitrile

Systemtic Name: 4,5-bis(hept-1-ynyl)benzene-1,2-dicarbonitrile Openeye Name: 4,5-bis(hept-1-ynyl)phthalonitrile CAS Name: 4,5-bis(hept-1-ynyl)benzene-1,2-dicarbonitrile IUPAC Name: 4,5-bis(hept-1-ynyl)benzene-1,2-dicarbonitrile Traditional Name: 4,5-bis(hept-1-ynyl)phthalonitrile Formula: C22H24N2 MolecularWeight: 316.43936

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC#CC1=CC(=C(C=C1C#CCCCCC)C#N)C#N

Isomeric SMILES

CCCCCC#CC1=CC(=C(C=C1C#CCCCCC)C#N)C#N

InChI

InChI=1S/C22H24N2/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,3-10H2,1-2H3