cyclopenta-1,3-diene; iron; 2,4,6-trinitrophenolate

Systemtic Name: cyclopenta-1,3-diene; iron; 2,4,6-trinitrophenolate Openeye Name: cyclopenta-1,3-diene; iron; 2,4,6-trinitrophenolate CAS Name: cyclopenta-1,3-diene; iron; 2,4,6-trinitrophenolate IUPAC Name: cyclopenta-1,3-diene; iron; 2,4,6-trinitrophenolate Traditional Name: cyclopenta-1,3-diene; iron; picrate Formula: C16H12FeN3O7-3 MolecularWeight: 414.12738

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Descriptors Computed from Structure

Canonical SMILES:

[CH-]1C=CC=C1.[CH-]1C=CC=C1.C1=C(C=C(C(=C1[N+](=O)[O-])[O-])[N+](=O)[O-])[N+](=O)[O-].[Fe]

Isomeric SMILES

[CH-]1C=CC=C1.[CH-]1C=CC=C1.C1=C(C=C(C(=C1[N+](=O)[O-])[O-])[N+](=O)[O-])[N+](=O)[O-].[Fe]

InChI

InChI=1S/C6H3N3O7.2C5H5.Fe/c10-6-4(8(13)14)1-3(7(11)12)2-5(6)9(15)16;2*1-2-4-5-3-1;/h1-2,10H;2*1-5H;/q;2*-1;/p-1