4,5-bis(2-cyclopentylethynyl)benzene-1,2-dicarbonitrile

Systemtic Name: 4,5-bis(2-cyclopentylethynyl)benzene-1,2-dicarbonitrile Openeye Name: 4,5-bis(2-cyclopentylethynyl)phthalonitrile CAS Name: 4,5-bis(2-cyclopentylethynyl)benzene-1,2-dicarbonitrile IUPAC Name: 4,5-bis(2-cyclopentylethynyl)benzene-1,2-dicarbonitrile Traditional Name: 4,5-bis(2-cyclopentylethynyl)phthalonitrile Formula: C22H10N2 MolecularWeight: 302.3282

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Descriptors Computed from Structure

Canonical SMILES:

[CH]1[CH][CH][C]([CH]1)C#CC2=CC(=C(C=C2C#C[C]3[CH][CH][CH][CH]3)C#N)C#N

Isomeric SMILES

[CH]1[CH][CH][C]([CH]1)C#CC2=CC(=C(C=C2C#C[C]3[CH][CH][CH][CH]3)C#N)C#N

InChI

InChI=1S/C22H10N2/c23-15-21-13-19(11-9-17-5-1-2-6-17)20(14-22(21)16-24)12-10-18-7-3-4-8-18/h1-8,13-14H