4-butoxy-3-oxidanylidene-butanoate; 2-ethyl-3-oxidanylidene-butanoate; zirconium(2+)

Systemtic Name: 4-butoxy-3-oxidanylidene-butanoate; 2-ethyl-3-oxidanylidene-butanoate; zirconium(2+) Openeye Name: 4-butoxy-3-oxo-butanoate; 2-ethyl-3-oxo-butanoate; zirconium(2+) CAS Name: 4-butoxy-3-oxobutanoate; 2-ethyl-3-oxobutanoate; zirconium(2+) IUPAC Name: 4-butoxy-3-oxobutanoate; 2-ethyl-3-oxobutanoate; zirconium(2+) Traditional Name: 4-butoxy-3-keto-butyrate; 2-ethyl-3-keto-butyrate; zirconium(2+) Formula: C20H31O10Zr- MolecularWeight: 522.67814

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C8H14O4.2C6H10O3.Zr/c1-2-3-4-12-6-7(9)5-8(10)11;2*1-3-5(4(2)7)6(8)9;/h2-6H2,1H3,(H,10,11);2*5H,3H2,1-2H3,(H,8,9);/q;;;+2/p-3