2,4-ditert-butyl-6-[(3-propan-2-ylimidazol-1-yl)methyl]phenolate; iron(2+)

Systemtic Name: 2,4-ditert-butyl-6-[(3-propan-2-ylimidazol-1-yl)methyl]phenolate; iron(2+) Openeye Name: ferrous 2,4-ditert-butyl-6-[(3-isopropylimidazol-1-yl)methyl]phenolate CAS Name: 2,4-ditert-butyl-6-[(3-propan-2-yl-1-imidazolyl)methyl]phenolate; iron(2+) IUPAC Name: 2,4-ditert-butyl-6-[(3-propan-2-ylimidazol-1-yl)methyl]phenolate; iron(2+) Traditional Name: ferrous 2,4-ditert-butyl-6-[(3-isopropylimidazol-1-yl)methyl]phenolate Formula: C42H62FeN4O2 MolecularWeight: 710.81228

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1C=CN([C]1)CC2=C(C(=CC(=C2)C(C)(C)C)C(C)(C)C)[O-].CC(C)N1C=CN([C]1)CC2=C(C(=CC(=C2)C(C)(C)C)C(C)(C)C)[O-].[Fe+2]

Isomeric SMILES

CC(C)N1C=CN([C]1)CC2=C(C(=CC(=C2)C(C)(C)C)C(C)(C)C)[O-].CC(C)N1C=CN([C]1)CC2=C(C(=CC(=C2)C(C)(C)C)C(C)(C)C)[O-].[Fe+2]

InChI

InChI=1S/2C21H32N2O.Fe/c2*1-15(2)23-10-9-22(14-23)13-16-11-17(20(3,4)5)12-18(19(16)24)21(6,7)8;/h2*9-12,15,24H,13H2,1-8H3;/q;;+2/p-2