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iron; iron(3+); 6-[(oxidanylamino)methylidene]cyclohexa-2,4-dien-1-one; 1,4,7-trimethyl-1,4,7-triazonane

iron; iron(3+); 6-[(oxidanylamino)methylidene]cyclohexa-2,4-dien-1-one; 1,4,7-trimethyl-1,4,7-triazonane

Systemtic Name:iron; iron(3+); 6-[(oxidanylamino)methylidene]cyclohexa-2,4-dien-1-one; 1,4,7-trimethyl-1,4,7-triazonane
Openeye Name:ferric; 6-[(hydroxyamino)methylene]cyclohexa-2,4-dien-1-one; iron; 1,4,7-trimethyl-1,4,7-triazonane
CAS Name:6-[(hydroxyamino)methylidene]-1-cyclohexa-2,4-dienone; iron; iron(3+); 1,4,7-trimethyl-1,4,7-triazonane
IUPAC Name:6-[(hydroxyamino)methylidene]cyclohexa-2,4-dien-1-one; iron; iron(3+); 1,4,7-trimethyl-1,4,7-triazonane
Traditional Name:ferric; 6-[(hydroxyamino)methylene]cyclohexa-2,4-dien-1-one; iron; 1,4,7-trimethyl-1,4,7-triazonane
Formula: C30H42Fe2N6O6+3
MolecularWeight: 694.38108
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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CCN(CC1)C)C.C1=CC(=CNO)C(=O)C=C1.C1=CC(=CNO)C(=O)C=C1.C1=CC(=CNO)C(=O)C=C1.[Fe].[Fe+3]


Isomeric SMILES

CN1CCN(CCN(CC1)C)C.C1=CC(=CNO)C(=O)C=C1.C1=CC(=CNO)C(=O)C=C1.C1=CC(=CNO)C(=O)C=C1.[Fe].[Fe+3]


InChI

InChI=1S/C9H21N3.3C7H7NO2.2Fe/c1-10-4-6-11(2)8-9-12(3)7-5-10;3*9-7-4-2-1-3-6(7)5-8-10;;/h4-9H2,1-3H3;3*1-5,8,10H;;/q;;;;;+3


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