triazanium; iron(3+); (6E)-6-[(oxidanidylamino)methylidene]cyclohexa-2,4-dien-1-one; disulfate

Systemtic Name: triazanium; iron(3+); (6E)-6-[(oxidanidylamino)methylidene]cyclohexa-2,4-dien-1-one; disulfate Openeye Name: triammonium ferric (6E)-6-[(oxidoamino)methylene]cyclohexa-2,4-dien-1-one disulfate CAS Name: triammonium; iron(3+); (6E)-6-[(oxidoamino)methylidene]-1-cyclohexa-2,4-dienone; disulfate IUPAC Name: triazanium; iron(3+); (6E)-6-[(oxidoamino)methylidene]cyclohexa-2,4-dien-1-one; disulfate Traditional Name: triammonium ferric (6E)-6-[(oxidoamino)methylene]cyclohexa-2,4-dien-1-one disulfate Formula: C14H24FeN5O12S2 MolecularWeight: 574.34166

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CN[O-])C(=O)C=C1.C1=CC(=CN[O-])C(=O)C=C1.[NH4+].[NH4+].[NH4+].[O-]S(=O)(=O)[O-].[O-]S(=O)(=O)[O-].[Fe+3]

Isomeric SMILES

C1=C/C(=C\N[O-])/C(=O)C=C1.C1=C/C(=C\N[O-])/C(=O)C=C1.[NH4+].[NH4+].[NH4+].[O-]S(=O)(=O)[O-].[O-]S(=O)(=O)[O-].[Fe+3]

InChI

InChI=1S/2C7H6NO2.Fe.3H3N.2H2O4S/c2*9-7-4-2-1-3-6(7)5-8-10;;;;;2*1-5(2,3)4/h2*1-5,8H;;3*1H3;2*(H2,1,2,3,4)/q2*-1;+3;;;;;/p-1/b2*6-5+;;;;;;