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

Systemtic Name: 2-ethyl-3-oxidanylidene-butanoate; propan-2-olate; zirconium(4+) Openeye Name: 2-ethyl-3-oxo-butanoate; propan-2-olate; zirconium(4+) CAS Name: 2-ethyl-3-oxobutanoate; 2-propanolate; zirconium(4+) IUPAC Name: 2-ethyl-3-oxobutanoate; propan-2-olate; zirconium(4+) Traditional Name: 2-ethyl-3-keto-butyrate; propan-2-olate; zirconium(4+) Formula: C18H32O8Zr MolecularWeight: 467.66588

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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(C)[O-].CC(C)[O-].[Zr+4]

Isomeric SMILES

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

InChI

InChI=1S/2C6H10O3.2C3H7O.Zr/c2*1-3-5(4(2)7)6(8)9;2*1-3(2)4;/h2*5H,3H2,1-2H3,(H,8,9);2*3H,1-2H3;/q;;2*-1;+4/p-2