2-ethyl-3-oxidanylidene-butanoate; iron(3+); 2-methylpropan-1-olate

Systemtic Name: 2-ethyl-3-oxidanylidene-butanoate; iron(3+); 2-methylpropan-1-olate Openeye Name: ferric; 2-ethyl-3-oxo-butanoate; 2-methylpropan-1-olate CAS Name: 2-ethyl-3-oxobutanoate; iron(3+); 2-methyl-1-propanolate IUPAC Name: 2-ethyl-3-oxobutanoate; iron(3+); 2-methylpropan-1-olate Traditional Name: ferric; 2-ethyl-3-keto-butyrate; 2-methylpropan-1-olate Formula: C14H27FeO5 MolecularWeight: 331.20618

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C6H10O3.2C4H9O.Fe/c1-3-5(4(2)7)6(8)9;2*1-4(2)3-5;/h5H,3H2,1-2H3,(H,8,9);2*4H,3H2,1-2H3;/q;2*-1;+3/p-1