cyclopentane; 4-[(E)-3-cyclopentyl-3-oxidanylidene-prop-1-enyl]benzenecarbonitrile; iron(2+)

Systemtic Name: cyclopentane; 4-[(E)-3-cyclopentyl-3-oxidanylidene-prop-1-enyl]benzenecarbonitrile; iron(2+) Openeye Name: ferrous; cyclopentane; 4-[(E)-3-cyclopentyl-3-oxo-prop-1-enyl]benzonitrile CAS Name: cyclopentane; 4-[(E)-3-cyclopentyl-3-oxoprop-1-enyl]benzonitrile; iron(2+) IUPAC Name: cyclopentane; 4-[(E)-3-cyclopentyl-3-oxoprop-1-enyl]benzonitrile; iron(2+) Traditional Name: ferrous; cyclopentane; 4-[(E)-3-cyclopentyl-3-keto-prop-1-enyl]benzonitrile Formula: C20H15FeNO+2 MolecularWeight: 341.1842

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H10NO.C5H5.Fe/c16-11-13-7-5-12(6-8-13)9-10-15(17)14-3-1-2-4-14;1-2-4-5-3-1;/h1-10H;1-5H;/q;;+2/b10-9+;;