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

Systemtic Name: 2,4-ditert-butyl-6-[(oxidanylamino)methylidene]cyclohexa-2,4-dien-1-one; iron; iron(3+); 1,4,7-trimethyl-1,4,7-triazonane Openeye Name: ferric; 2,4-ditert-butyl-6-[(hydroxyamino)methylene]cyclohexa-2,4-dien-1-one; iron; 1,4,7-trimethyl-1,4,7-triazonane CAS Name: 2,4-ditert-butyl-6-[(hydroxyamino)methylidene]-1-cyclohexa-2,4-dienone; iron; iron(3+); 1,4,7-trimethyl-1,4,7-triazonane IUPAC Name: 2,4-ditert-butyl-6-[(hydroxyamino)methylidene]cyclohexa-2,4-dien-1-one; iron; iron(3+); 1,4,7-trimethyl-1,4,7-triazonane Traditional Name: ferric; 2,4-ditert-butyl-6-[(hydroxyamino)methylene]cyclohexa-2,4-dien-1-one; iron; 1,4,7-trimethyl-1,4,7-triazonane Formula: C54H90Fe2N6O6+3 MolecularWeight: 1031.019

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/3C15H23NO2.C9H21N3.2Fe/c3*1-14(2,3)11-7-10(9-16-18)13(17)12(8-11)15(4,5)6;1-10-4-6-11(2)8-9-12(3)7-5-10;;/h3*7-9,16,18H,1-6H3;4-9H2,1-3H3;;/q;;;;;+3