iron(2+); N'-[(Z)-(6-oxidanylidenecyclohexa-2,4-dien-1-ylidene)methyl]pyridine-4-carbohydrazide; sulfate

Systemtic Name: iron(2+); N'-[(Z)-(6-oxidanylidenecyclohexa-2,4-dien-1-ylidene)methyl]pyridine-4-carbohydrazide; sulfate Openeye Name: ferrous N'-[(Z)-(6-oxocyclohexa-2,4-dien-1-ylidene)methyl]pyridine-4-carbohydrazide sulfate CAS Name: iron(2+); N'-[(Z)-(6-oxo-1-cyclohexa-2,4-dienylidene)methyl]-4-pyridinecarbohydrazide; sulfate IUPAC Name: iron(2+); N'-[(Z)-(6-oxocyclohexa-2,4-dien-1-ylidene)methyl]pyridine-4-carbohydrazide; sulfate Traditional Name: ferrous N'-[(Z)-(6-ketocyclohexa-2,4-dien-1-ylidene)methyl]isonicotinohydrazide sulfate Formula: C13H11FeN3O6S MolecularWeight: 393.15294

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CNNC(=O)C2=CC=NC=C2)C(=O)C=C1.[O-]S(=O)(=O)[O-].[Fe+2]

Isomeric SMILES

C1=C/C(=C/NNC(=O)C2=CC=NC=C2)/C(=O)C=C1.[O-]S(=O)(=O)[O-].[Fe+2]

InChI

InChI=1S/C13H11N3O2.Fe.H2O4S/c17-12-4-2-1-3-11(12)9-15-16-13(18)10-5-7-14-8-6-10;;1-5(2,3)4/h1-9,15H,(H,16,18);;(H2,1,2,3,4)/q;+2;/p-2/b11-9-;;