4,5-bis(2-cyclopentylethynyl)benzene-1,2-dicarbonitrile; cyclopentane; iron(2+)

Systemtic Name: 4,5-bis(2-cyclopentylethynyl)benzene-1,2-dicarbonitrile; cyclopentane; iron(2+) Openeye Name: diferrous; 4,5-bis(2-cyclopentylethynyl)phthalonitrile; cyclopentane CAS Name: 4,5-bis(2-cyclopentylethynyl)benzene-1,2-dicarbonitrile; cyclopentane; iron(2+) IUPAC Name: 4,5-bis(2-cyclopentylethynyl)benzene-1,2-dicarbonitrile; cyclopentane; iron(2+) Traditional Name: diferrous; 4,5-bis(2-cyclopentylethynyl)phthalonitrile; cyclopentane Formula: C32H20Fe2N2+4 MolecularWeight: 544.2046

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Descriptors Computed from Structure

Canonical SMILES:

[CH]1[CH][CH][CH][CH]1.[CH]1[CH][CH][CH][CH]1.[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.[Fe+2].[Fe+2]

Isomeric SMILES

[CH]1[CH][CH][CH][CH]1.[CH]1[CH][CH][CH][CH]1.[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.[Fe+2].[Fe+2]

InChI

InChI=1S/C22H10N2.2C5H5.2Fe/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;2*1-2-4-5-3-1;;/h1-8,13-14H;2*1-5H;;/q;;;2*+2