butan-1-olate; 2-ethyl-3-oxidanylidene-butanoic acid; zirconium(2+)

Systemtic Name: butan-1-olate; 2-ethyl-3-oxidanylidene-butanoic acid; zirconium(2+) Openeye Name: butan-1-olate; 2-ethyl-3-oxo-butanoic acid; zirconium(2+) CAS Name: 1-butanolate; 2-ethyl-3-oxobutanoic acid; zirconium(2+) IUPAC Name: butan-1-olate; 2-ethyl-3-oxobutanoic acid; zirconium(2+) Traditional Name: butan-1-olate; 2-ethyl-3-keto-butyric acid; zirconium(2+) Formula: C20H38O8Zr MolecularWeight: 497.73492

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/2C6H10O3.2C4H9O.Zr/c2*1-3-5(4(2)7)6(8)9;2*1-2-3-4-5;/h2*5H,3H2,1-2H3,(H,8,9);2*2-4H2,1H3;/q;;2*-1;+2