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

Systemtic Name: 4-butoxy-2,2-diethyl-3-oxidanylidene-hexanoate; zirconium(4+) Openeye Name: 4-butoxy-2,2-diethyl-3-oxo-hexanoate; zirconium(4+) CAS Name: 4-butoxy-2,2-diethyl-3-oxohexanoate; zirconium(4+) IUPAC Name: 4-butoxy-2,2-diethyl-3-oxohexanoate; zirconium(4+) Traditional Name: 4-butoxy-2,2-diethyl-3-keto-hexanoate; zirconium(4+) Formula: C56H100O16Zr MolecularWeight: 1120.6076

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/4C14H26O4.Zr/c4*1-5-9-10-18-11(6-2)12(15)14(7-3,8-4)13(16)17;/h4*11H,5-10H2,1-4H3,(H,16,17);/q;;;;+4/p-4