4,5-dihexyl-3,6-bis(hex-1-ynyl)benzene-1,2-dicarbonitrile

Systemtic Name: 4,5-dihexyl-3,6-bis(hex-1-ynyl)benzene-1,2-dicarbonitrile Openeye Name: 4,5-dihexyl-3,6-bis(hex-1-ynyl)phthalonitrile CAS Name: 4,5-dihexyl-3,6-bis(hex-1-ynyl)benzene-1,2-dicarbonitrile IUPAC Name: 4,5-dihexyl-3,6-bis(hex-1-ynyl)benzene-1,2-dicarbonitrile Traditional Name: 4,5-dihexyl-3,6-bis(hex-1-ynyl)phthalonitrile Formula: C32H44N2 MolecularWeight: 456.70516

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1=C(C(=C(C(=C1C#CCCCC)C#N)C#N)C#CCCCC)CCCCCC

Isomeric SMILES

CCCCCCC1=C(C(=C(C(=C1C#CCCCC)C#N)C#N)C#CCCCC)CCCCCC

InChI

InChI=1S/C32H44N2/c1-5-9-13-17-21-27-28(22-18-14-10-6-2)30(24-20-16-12-8-4)32(26-34)31(25-33)29(27)23-19-15-11-7-3/h5-18,21-22H2,1-4H3