2,2-diethyl-3-oxidanylidene-butanoate; (Z)-4-oxidanylidenepent-2-en-2-olate; zirconium(2+)

Systemtic Name: 2,2-diethyl-3-oxidanylidene-butanoate; (Z)-4-oxidanylidenepent-2-en-2-olate; zirconium(2+) Openeye Name: 2,2-diethyl-3-oxo-butanoate; (Z)-4-oxopent-2-en-2-olate; zirconium(2+) CAS Name: 2,2-diethyl-3-oxobutanoate; (Z)-4-oxo-2-penten-2-olate; zirconium(2+) IUPAC Name: 2,2-diethyl-3-oxobutanoate; (Z)-4-oxopent-2-en-2-olate; zirconium(2+) Traditional Name: 2,2-diethyl-3-keto-butyrate; (Z)-4-ketopent-2-en-2-olate; zirconium(2+) Formula: C13H20O5Zr MolecularWeight: 347.5189

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)(C(=O)C)C(=O)[O-].CC(=CC(=O)C)[O-].[Zr+2]

Isomeric SMILES

CCC(CC)(C(=O)C)C(=O)[O-].C/C(=C/C(=O)C)/[O-].[Zr+2]

InChI

InChI=1S/C8H14O3.C5H8O2.Zr/c1-4-8(5-2,6(3)9)7(10)11;1-4(6)3-5(2)7;/h4-5H2,1-3H3,(H,10,11);3,6H,1-2H3;/q;;+2/p-2/b;4-3-;