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

Systemtic Name: 2-ethyl-3-oxidanylidene-butanoate; (Z)-4-oxidanylidenepent-2-en-2-olate; zirconium(2+) Openeye Name: 2-ethyl-3-oxo-butanoate; (Z)-4-oxopent-2-en-2-olate; zirconium(2+) CAS Name: 2-ethyl-3-oxobutanoate; (Z)-4-oxo-2-penten-2-olate; zirconium(2+) IUPAC Name: 2-ethyl-3-oxobutanoate; (Z)-4-oxopent-2-en-2-olate; zirconium(2+) Traditional Name: 2-ethyl-3-keto-butyrate; (Z)-4-ketopent-2-en-2-olate; zirconium(2+) Formula: C17H25O8Zr- MolecularWeight: 448.5996

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/2C6H10O3.C5H8O2.Zr/c2*1-3-5(4(2)7)6(8)9;1-4(6)3-5(2)7;/h2*5H,3H2,1-2H3,(H,8,9);3,6H,1-2H3;/q;;;+2/p-3/b;;4-3-;