iron(3+); (Z)-2,2,6,6-tetramethyl-5-oxidanylidene-hept-3-en-3-olate

Systemtic Name: iron(3+); (Z)-2,2,6,6-tetramethyl-5-oxidanylidene-hept-3-en-3-olate Openeye Name: ferric (Z)-2,2,6,6-tetramethyl-5-oxo-hept-3-en-3-olate CAS Name: iron(3+); (Z)-2,2,6,6-tetramethyl-5-oxo-3-hepten-3-olate IUPAC Name: iron(3+); (Z)-2,2,6,6-tetramethyl-5-oxohept-3-en-3-olate Traditional Name: ferric (Z)-5-keto-2,2,6,6-tetramethyl-hept-3-en-3-olate Formula: C33H57FeO6 MolecularWeight: 605.64708

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(=CC(=O)C(C)(C)C)[O-].CC(C)(C)C(=CC(=O)C(C)(C)C)[O-].CC(C)(C)C(=CC(=O)C(C)(C)C)[O-].[Fe+3]

Isomeric SMILES

CC(/C(=C/C(=O)C(C)(C)C)/[O-])(C)C.CC(/C(=C/C(=O)C(C)(C)C)/[O-])(C)C.CC(/C(=C/C(=O)C(C)(C)C)/[O-])(C)C.[Fe+3]

InChI

InChI=1S/3C11H20O2.Fe/c3*1-10(2,3)8(12)7-9(13)11(4,5)6;/h3*7,12H,1-6H3;/q;;;+3/p-3/b3*8-7-;