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

Systemtic Name: carbon monoxide; dimethyl (2S,3R)-2-nitro-3-propyl-pentanedioate; iron(2+) Openeye Name: ferrous; carbon monoxide; dimethyl (2S,3R)-2-nitro-3-propyl-pentanedioate CAS Name: carbon monoxide; iron(2+); (2S,3R)-2-nitro-3-propylpentanedioic acid dimethyl ester IUPAC Name: carbon monoxide; dimethyl (2S,3R)-2-nitro-3-propylpentanedioate; iron(2+) Traditional Name: ferrous; carbon monoxide; (2S,3R)-2-nitro-3-propyl-glutaric acid dimethyl ester Formula: C13H16FeNO9+ MolecularWeight: 386.11244

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C10H16NO6.3CO.Fe/c1-4-5-7(6-8(12)16-2)9(11(14)15)10(13)17-3;3*1-2;/h6-7,9H,4-5H2,1-3H3;;;;/q-1;;;;+2/t7-,9-;;;;/m0..../s1