carbon monoxide; iron(2+); (2R,7R)-2-oxidanyl-7-(oxidanylidenemethoxy)octan-3-one

Systemtic Name: carbon monoxide; iron(2+); (2R,7R)-2-oxidanyl-7-(oxidanylidenemethoxy)octan-3-one Openeye Name: ferrous; carbon monoxide; (2R,7R)-2-hydroxy-7-(oxomethoxy)octan-3-one CAS Name: carbon monoxide; (2R,7R)-2-hydroxy-7-(oxomethoxy)-3-octanone; iron(2+) IUPAC Name: carbon monoxide; (2R,7R)-2-hydroxy-7-(oxomethoxy)octan-3-one; iron(2+) Traditional Name: ferrous; carbon monoxide; (2R,7R)-2-hydroxy-7-(ketomethoxy)octan-3-one Formula: C12H12FeO7+ MolecularWeight: 324.06448

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Descriptors Computed from Structure

Canonical SMILES:

CC([CH][CH][CH]C(=O)C(C)O)O[C-]=O.[C-]#[O+].[C-]#[O+].[C-]#[O+].[Fe+2]

Isomeric SMILES

C[C@H]([CH][CH][CH]C(=O)[C@@H](C)O)O[C-]=O.[C-]#[O+].[C-]#[O+].[C-]#[O+].[Fe+2]

InChI

InChI=1S/C9H12O4.3CO.Fe/c1-7(13-6-10)4-3-5-9(12)8(2)11;3*1-2;/h3-5,7-8,11H,1-2H3;;;;/q-1;;;;+2/t7-,8-;;;;/m1..../s1