(E)-2-cyano-3-cyclopentyl-prop-2-enoic acid; iron(2+)

Systemtic Name: (E)-2-cyano-3-cyclopentyl-prop-2-enoic acid; iron(2+) Openeye Name: ferrous (E)-2-cyano-3-cyclopentyl-prop-2-enoic acid CAS Name: (E)-2-cyano-3-cyclopentyl-2-propenoic acid; iron(2+) IUPAC Name: (E)-2-cyano-3-cyclopentylprop-2-enoic acid; iron(2+) Traditional Name: ferrous (E)-2-cyano-3-cyclopentyl-acrylic acid Formula: C18H12FeN2O4+2 MolecularWeight: 376.14388

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/2C9H6NO2.Fe/c2*10-6-8(9(11)12)5-7-3-1-2-4-7;/h2*1-5H,(H,11,12);/q;;+2