3,5-ditert-butylbenzene-1,2-diol; 6-[[2-(ethylamino)ethylamino]methylidene]cyclohexa-2,4-dien-1-one; iron

Systemtic Name: 3,5-ditert-butylbenzene-1,2-diol; 6-[[2-(ethylamino)ethylamino]methylidene]cyclohexa-2,4-dien-1-one; iron Openeye Name: 3,5-ditert-butylbenzene-1,2-diol; 6-[[2-(ethylamino)ethylamino]methylene]cyclohexa-2,4-dien-1-one; iron CAS Name: 3,5-ditert-butylbenzene-1,2-diol; 6-[[2-(ethylamino)ethylamino]methylidene]-1-cyclohexa-2,4-dienone; iron IUPAC Name: 3,5-ditert-butylbenzene-1,2-diol; 6-[[2-(ethylamino)ethylamino]methylidene]cyclohexa-2,4-dien-1-one; iron Traditional Name: 3,5-ditert-butylpyrocatechol; 6-[[2-(ethylamino)ethylamino]methylene]cyclohexa-2,4-dien-1-one; iron Formula: C50H76Fe2N4O6 MolecularWeight: 940.85164

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Descriptors Computed from Structure

Canonical SMILES:

CCNCCNC=C1C=CC=CC1=O.CCNCCNC=C1C=CC=CC1=O.CC(C)(C)C1=CC(=C(C(=C1)O)O)C(C)(C)C.CC(C)(C)C1=CC(=C(C(=C1)O)O)C(C)(C)C.[Fe].[Fe]

Isomeric SMILES

CCNCCNC=C1C=CC=CC1=O.CCNCCNC=C1C=CC=CC1=O.CC(C)(C)C1=CC(=C(C(=C1)O)O)C(C)(C)C.CC(C)(C)C1=CC(=C(C(=C1)O)O)C(C)(C)C.[Fe].[Fe]

InChI

InChI=1S/2C14H22O2.2C11H16N2O.2Fe/c2*1-13(2,3)9-7-10(14(4,5)6)12(16)11(15)8-9;2*1-2-12-7-8-13-9-10-5-3-4-6-11(10)14;;/h2*7-8,15-16H,1-6H3;2*3-6,9,12-13H,2,7-8H2,1H3;;