ethane; 3-oxidanylidenebutanoate; zirconium(2+)

Systemtic Name: ethane; 3-oxidanylidenebutanoate; zirconium(2+) Openeye Name: ethane; 3-oxobutanoate; zirconium(2+) CAS Name: ethane; 3-oxobutanoate; zirconium(2+) IUPAC Name: ethane; 3-oxobutanoate; zirconium(2+) Traditional Name: acetoacetate; ethane; zirconium(2+) Formula: C6H10O3Zr MolecularWeight: 221.3658

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Descriptors Computed from Structure

Canonical SMILES:

C[CH2-].CC(=O)CC(=O)[O-].[Zr+2]

Isomeric SMILES

C[CH2-].CC(=O)CC(=O)[O-].[Zr+2]

InChI

InChI=1S/C4H6O3.C2H5.Zr/c1-3(5)2-4(6)7;1-2;/h2H2,1H3,(H,6,7);1H2,2H3;/q;-1;+2/p-1