cyclopentane; 4-cyclopentylbenzenecarbonitrile; iron(2+)

Systemtic Name: cyclopentane; 4-cyclopentylbenzenecarbonitrile; iron(2+) Openeye Name: ferrous; cyclopentane; 4-cyclopentylbenzonitrile CAS Name: cyclopentane; 4-cyclopentylbenzonitrile; iron(2+) IUPAC Name: cyclopentane; 4-cyclopentylbenzonitrile; iron(2+) Traditional Name: ferrous; cyclopentane; 4-cyclopentylbenzonitrile Formula: C17H13FeN+2 MolecularWeight: 287.13682

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C#N)[C]2[CH][CH][CH][CH]2.[CH]1[CH][CH][CH][CH]1.[Fe+2]

Isomeric SMILES

C1=CC(=CC=C1C#N)[C]2[CH][CH][CH][CH]2.[CH]1[CH][CH][CH][CH]1.[Fe+2]

InChI

InChI=1S/C12H8N.C5H5.Fe/c13-9-10-5-7-12(8-6-10)11-3-1-2-4-11;1-2-4-5-3-1;/h1-8H;1-5H;/q;;+2