2,2,4-triethyl-3-oxidanylidene-hexanoate; zirconium(4+)

Systemtic Name: 2,2,4-triethyl-3-oxidanylidene-hexanoate; zirconium(4+) Openeye Name: 2,2,4-triethyl-3-oxo-hexanoate; zirconium(4+) CAS Name: 2,2,4-triethyl-3-oxohexanoate; zirconium(4+) IUPAC Name: 2,2,4-triethyl-3-oxohexanoate; zirconium(4+) Traditional Name: 2,2,4-triethyl-3-keto-hexanoate; zirconium(4+) Formula: C48H84O12Zr MolecularWeight: 944.39736

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/4C12H22O3.Zr/c4*1-5-9(6-2)10(13)12(7-3,8-4)11(14)15;/h4*9H,5-8H2,1-4H3,(H,14,15);/q;;;;+4/p-4