carbon monoxide; dimethyl (2S,3S)-2-nitro-3-propyl-pentanedioate; iron(2+)

Systemtic Name: carbon monoxide; dimethyl (2S,3S)-2-nitro-3-propyl-pentanedioate; iron(2+) Openeye Name: ferrous; carbon monoxide; dimethyl (2S,3S)-2-nitro-3-propyl-pentanedioate CAS Name: carbon monoxide; iron(2+); (2S,3S)-2-nitro-3-propylpentanedioic acid dimethyl ester IUPAC Name: carbon monoxide; dimethyl (2S,3S)-2-nitro-3-propylpentanedioate; iron(2+) Traditional Name: ferrous; carbon monoxide; (2S,3S)-2-nitro-3-propyl-glutaric acid dimethyl ester Formula: C13H13FeNO9+ MolecularWeight: 383.08862

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)[CH-]C([CH][CH][CH2])C(C(=O)OC)[N+](=O)[O-].[C-]#[O+].[C-]#[O+].[C-]#[O+].[Fe+2]

Isomeric SMILES

COC(=O)[CH-][C@H]([CH][CH][CH2])[C@@H](C(=O)OC)[N+](=O)[O-].[C-]#[O+].[C-]#[O+].[C-]#[O+].[Fe+2]

InChI

InChI=1S/C10H13NO6.3CO.Fe/c1-4-5-7(6-8(12)16-2)9(11(14)15)10(13)17-3;3*1-2;/h4-7,9H,1H2,2-3H3;;;;/q-1;;;;+2/t7-,9-;;;;/m0..../s1