6,7-bis(2-cyclopentylethynyl)naphthalene-2,3-dicarbonitrile; cyclopentane; iron(2+)

Systemtic Name: 6,7-bis(2-cyclopentylethynyl)naphthalene-2,3-dicarbonitrile; cyclopentane; iron(2+) Openeye Name: diferrous; 6,7-bis(2-cyclopentylethynyl)naphthalene-2,3-dicarbonitrile; cyclopentane CAS Name: 6,7-bis(2-cyclopentylethynyl)naphthalene-2,3-dicarbonitrile; cyclopentane; iron(2+) IUPAC Name: 6,7-bis(2-cyclopentylethynyl)naphthalene-2,3-dicarbonitrile; cyclopentane; iron(2+) Traditional Name: diferrous; 6,7-bis(2-cyclopentylethynyl)naphthalene-2,3-dicarbonitrile; cyclopentane Formula: C36H22Fe2N2+4 MolecularWeight: 594.26328

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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=CC3=C(C=C2C#C[C]4[CH][CH][CH][CH]4)C=C(C(=C3)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=CC3=C(C=C2C#C[C]4[CH][CH][CH][CH]4)C=C(C(=C3)C#N)C#N.[Fe+2].[Fe+2]

InChI

InChI=1S/C26H12N2.2C5H5.2Fe/c27-17-25-15-23-13-21(11-9-19-5-1-2-6-19)22(12-10-20-7-3-4-8-20)14-24(23)16-26(25)18-28;2*1-2-4-5-3-1;;/h1-8,13-16H;2*1-5H;;/q;;;2*+2