carbon monoxide; [(2S)-1-ethoxy-1-oxidanylidene-propan-2-yl] 3-methylbutanoate; iron

Systemtic Name: carbon monoxide; [(2S)-1-ethoxy-1-oxidanylidene-propan-2-yl] 3-methylbutanoate; iron Openeye Name: carbon monoxide; [(1S)-2-ethoxy-1-methyl-2-oxo-ethyl] 3-methylbutanoate; iron CAS Name: carbon monoxide; iron; 3-methylbutanoic acid [(2S)-1-ethoxy-1-oxopropan-2-yl] ester IUPAC Name: carbon monoxide; [(2S)-1-ethoxy-1-oxopropan-2-yl] 3-methylbutanoate; iron Traditional Name: carbon monoxide; iron; 3-methylbutyric acid [(1S)-2-ethoxy-2-keto-1-methyl-ethyl] ester Formula: C13H14FeO7 MolecularWeight: 338.09106

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C)OC(=O)[CH][C]([CH2])[CH2].[C-]#[O+].[C-]#[O+].[C-]#[O+].[Fe]

Isomeric SMILES

CCOC(=O)[C@H](C)OC(=O)[CH][C]([CH2])[CH2].[C-]#[O+].[C-]#[O+].[C-]#[O+].[Fe]

InChI

InChI=1S/C10H14O4.3CO.Fe/c1-5-13-10(12)8(4)14-9(11)6-7(2)3;3*1-2;/h6,8H,2-3,5H2,1,4H3;;;;/t8-;;;;/m0..../s1