carbon monoxide; iron; (2-methylpropan-2-yl)oxymethanone

Systemtic Name: carbon monoxide; iron; (2-methylpropan-2-yl)oxymethanone Openeye Name: tert-butoxymethanone; carbon monoxide; iron CAS Name: carbon monoxide; iron; (2-methylpropan-2-yl)oxymethanone IUPAC Name: carbon monoxide; iron; (2-methylpropan-2-yl)oxymethanone Traditional Name: tert-butoxymethanone; carbon monoxide; iron Formula: C18H18Fe2O12-2 MolecularWeight: 538.01832

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)O[C-]=O.CC(C)(C)O[C-]=O.[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[Fe].[Fe]

Isomeric SMILES

CC(C)(C)O[C-]=O.CC(C)(C)O[C-]=O.[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[Fe].[Fe]

InChI

InChI=1S/2C5H9O2.8CO.2Fe/c2*1-5(2,3)7-4-6;8*1-2;;/h2*1-3H3;;;;;;;;;;/q2*-1;;;;;;;;;;