2,2-dimethyl-3-oxidanylidene-butanoate; propan-2-olate; zirconium(4+)

Systemtic Name: 2,2-dimethyl-3-oxidanylidene-butanoate; propan-2-olate; zirconium(4+) Openeye Name: 2,2-dimethyl-3-oxo-butanoate; propan-2-olate; zirconium(4+) CAS Name: 2,2-dimethyl-3-oxobutanoate; 2-propanolate; zirconium(4+) IUPAC Name: 2,2-dimethyl-3-oxobutanoate; propan-2-olate; zirconium(4+) Traditional Name: 3-keto-2,2-dimethyl-butyrate; propan-2-olate; zirconium(4+) Formula: C12H23O5Zr+ MolecularWeight: 338.53202

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)[O-].CC(C)[O-].CC(=O)C(C)(C)C(=O)[O-].[Zr+4]

Isomeric SMILES

CC(C)[O-].CC(C)[O-].CC(=O)C(C)(C)C(=O)[O-].[Zr+4]

InChI

InChI=1S/C6H10O3.2C3H7O.Zr/c1-4(7)6(2,3)5(8)9;2*1-3(2)4;/h1-3H3,(H,8,9);2*3H,1-2H3;/q;2*-1;+4/p-1