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

Systemtic Name: 4,5-bis(oct-1-ynyl)benzene-1,2-dicarbonitrile Openeye Name: 4,5-bis(oct-1-ynyl)phthalonitrile CAS Name: 4,5-bis(oct-1-ynyl)benzene-1,2-dicarbonitrile IUPAC Name: 4,5-bis(oct-1-ynyl)benzene-1,2-dicarbonitrile Traditional Name: 4,5-bis(oct-1-ynyl)phthalonitrile Formula: C24H28N2 MolecularWeight: 344.49252

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H28N2/c1-3-5-7-9-11-13-15-21-17-23(19-25)24(20-26)18-22(21)16-14-12-10-8-6-4-2/h17-18H,3-12H2,1-2H3