N,N-dimethylmethanamide; iron; 4-nitrobenzoic acid; oxidanylideneiron; hydrate

Systemtic Name: N,N-dimethylmethanamide; iron; 4-nitrobenzoic acid; oxidanylideneiron; hydrate Openeye Name: N,N-dimethylformamide; iron; 4-nitrobenzoic acid; oxoiron; hydrate CAS Name: N,N-dimethylformamide; iron; 4-nitrobenzoic acid; oxoiron; hydrate IUPAC Name: N,N-dimethylformamide; iron; 4-nitrobenzoic acid; oxoiron; hydrate Traditional Name: N,N-dimethylformamide; iron; ketoiron; 4-nitrobenzoic acid; hydrate Formula: C89H85Fe6N15O52 MolecularWeight: 2531.7665

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C=O.CN(C)C=O.CN(C)C=O.CN(C)C=O.C1=CC(=CC=C1C(=O)O)[N+](=O)[O-].C1=CC(=CC=C1C(=O)O)[N+](=O)[O-].C1=CC(=CC=C1C(=O)O)[N+](=O)[O-].C1=CC(=CC=C1C(=O)O)[N+](=O)[O-].C1=CC(=CC=C1C(=O)O)[N+](=O)[O-].C1=CC(=CC=C1C(=O)O)[N+](=O)[O-].C1=CC(=CC=C1C(=O)O)[N+](=O)[O-].C1=CC(=CC=C1C(=O)O)[N+](=O)[O-].C1=CC(=CC=C1C(=O)O)[N+](=O)[O-].C1=CC(=CC=C1C(=O)O)[N+](=O)[O-].C1=CC(=CC=C1C(=O)O)[N+](=O)[O-].O.O=[Fe].O=[Fe].O=[Fe].[Fe].[Fe].[Fe]

Isomeric SMILES

CN(C)C=O.CN(C)C=O.CN(C)C=O.CN(C)C=O.C1=CC(=CC=C1C(=O)O)[N+](=O)[O-].C1=CC(=CC=C1C(=O)O)[N+](=O)[O-].C1=CC(=CC=C1C(=O)O)[N+](=O)[O-].C1=CC(=CC=C1C(=O)O)[N+](=O)[O-].C1=CC(=CC=C1C(=O)O)[N+](=O)[O-].C1=CC(=CC=C1C(=O)O)[N+](=O)[O-].C1=CC(=CC=C1C(=O)O)[N+](=O)[O-].C1=CC(=CC=C1C(=O)O)[N+](=O)[O-].C1=CC(=CC=C1C(=O)O)[N+](=O)[O-].C1=CC(=CC=C1C(=O)O)[N+](=O)[O-].C1=CC(=CC=C1C(=O)O)[N+](=O)[O-].O.O=[Fe].O=[Fe].O=[Fe].[Fe].[Fe].[Fe]

InChI

InChI=1S/11C7H5NO4.4C3H7NO.6Fe.H2O.3O/c11*9-7(10)5-1-3-6(4-2-5)8(11)12;4*1-4(2)3-5;;;;;;;;;;/h11*1-4H,(H,9,10);4*3H,1-2H3;;;;;;;1H2;;;