(E)-3-cyclopentyl-2-(4-oxidanylbut-2-ynoxymethyl)prop-2-enenitrile; iron(2+)

Systemtic Name: (E)-3-cyclopentyl-2-(4-oxidanylbut-2-ynoxymethyl)prop-2-enenitrile; iron(2+) Openeye Name: ferrous (E)-3-cyclopentyl-2-(4-hydroxybut-2-ynoxymethyl)prop-2-enenitrile CAS Name: (E)-3-cyclopentyl-2-(4-hydroxybut-2-ynoxymethyl)-2-propenenitrile; iron(2+) IUPAC Name: (E)-3-cyclopentyl-2-(4-hydroxybut-2-ynoxymethyl)prop-2-enenitrile; iron(2+) Traditional Name: ferrous (E)-3-cyclopentyl-2-(4-hydroxybut-2-ynoxymethyl)acrylonitrile Formula: C26H24FeN2O4+2 MolecularWeight: 484.32476

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/2C13H12NO2.Fe/c2*14-10-13(9-12-5-1-2-6-12)11-16-8-4-3-7-15;/h2*1-2,5-6,9,15H,7-8,11H2;/q;;+2