carbon monoxide; iron; iron(2+); 3-[(4-nitrophenyl)carbonyloxymethylidene]oct-1-enyl 4-nitrobenzoate

Systemtic Name: carbon monoxide; iron; iron(2+); 3-[(4-nitrophenyl)carbonyloxymethylidene]oct-1-enyl 4-nitrobenzoate Openeye Name: ferrous; carbon monoxide; iron; 3-[(4-nitrobenzoyl)oxymethylene]oct-1-enyl 4-nitrobenzoate CAS Name: carbon monoxide; iron; iron(2+); 4-nitrobenzoic acid 3-[[(4-nitrophenyl)-oxomethoxy]methylidene]oct-1-enyl ester IUPAC Name: carbon monoxide; iron; iron(2+); 3-[(4-nitrobenzoyl)oxymethylidene]oct-1-enyl 4-nitrobenzoate Traditional Name: ferrous; carbon monoxide; iron; 4-nitrobenzoic acid [3-amyl-4-(4-nitrobenzoyl)oxy-buta-1,3-dienyl] ester Formula: C29H20Fe2N2O14 MolecularWeight: 732.1641

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(=[C-]OC(=O)C1=CC=C(C=C1)[N+](=O)[O-])C=[C-]OC(=O)C2=CC=C(C=C2)[N+](=O)[O-].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[Fe].[Fe+2]

Isomeric SMILES

CCCCCC(=[C-]OC(=O)C1=CC=C(C=C1)[N+](=O)[O-])C=[C-]OC(=O)C2=CC=C(C=C2)[N+](=O)[O-].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[Fe].[Fe+2]

InChI

InChI=1S/C23H20N2O8.6CO.2Fe/c1-2-3-4-5-17(16-33-23(27)19-8-12-21(13-9-19)25(30)31)14-15-32-22(26)18-6-10-20(11-7-18)24(28)29;6*1-2;;/h6-14H,2-5H2,1H3;;;;;;;;/q-2;;;;;;;;+2