butan-1-olate; 2-ethyl-3-oxidanylidene-butanoate; zirconium(4+)

Systemtic Name: butan-1-olate; 2-ethyl-3-oxidanylidene-butanoate; zirconium(4+) Openeye Name: butan-1-olate; 2-ethyl-3-oxo-butanoate; zirconium(4+) CAS Name: 1-butanolate; 2-ethyl-3-oxobutanoate; zirconium(4+) IUPAC Name: butan-1-olate; 2-ethyl-3-oxobutanoate; zirconium(4+) Traditional Name: butan-1-olate; 2-ethyl-3-keto-butyrate; zirconium(4+) Formula: C18H36O6Zr MolecularWeight: 439.69884

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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