2-[cyclopentyl(oxidanyl)methyl]prop-2-enenitrile; iron(2+)

Systemtic Name: 2-[cyclopentyl(oxidanyl)methyl]prop-2-enenitrile; iron(2+) Openeye Name: ferrous 2-[cyclopentyl(hydroxy)methyl]prop-2-enenitrile CAS Name: 2-[cyclopentyl(hydroxy)methyl]-2-propenenitrile; iron(2+) IUPAC Name: 2-[cyclopentyl(hydroxy)methyl]prop-2-enenitrile; iron(2+) Traditional Name: ferrous 2-[cyclopentyl(hydroxy)methyl]acrylonitrile Formula: C18H16FeN2O2+2 MolecularWeight: 348.17684

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/2C9H8NO.Fe/c2*1-7(6-10)9(11)8-4-2-3-5-8;/h2*2-5,9,11H,1H2;/q;;+2