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

Systemtic Name: 4,5-bis(hex-1-ynyl)benzene-1,2-dicarbonitrile Openeye Name: 4,5-bis(hex-1-ynyl)phthalonitrile CAS Name: 4,5-bis(hex-1-ynyl)benzene-1,2-dicarbonitrile IUPAC Name: 4,5-bis(hex-1-ynyl)benzene-1,2-dicarbonitrile Traditional Name: 4,5-bis(hex-1-ynyl)phthalonitrile Formula: C20H20N2 MolecularWeight: 288.3862

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H20N2/c1-3-5-7-9-11-17-13-19(15-21)20(16-22)14-18(17)12-10-8-6-4-2/h13-14H,3-8H2,1-2H3