2-ethoxy-2,3-diethyl-pentanoate; zirconium(4+)

Systemtic Name: 2-ethoxy-2,3-diethyl-pentanoate; zirconium(4+) Openeye Name: 2-ethoxy-2,3-diethyl-pentanoate; zirconium(4+) CAS Name: 2-ethoxy-2,3-diethylpentanoate; zirconium(4+) IUPAC Name: 2-ethoxy-2,3-diethylpentanoate; zirconium(4+) Traditional Name: 2-ethoxy-2,3-diethyl-valerate; zirconium(4+) Formula: C44H84O12Zr MolecularWeight: 896.35456

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/4C11H22O3.Zr/c4*1-5-9(6-2)11(7-3,10(12)13)14-8-4;/h4*9H,5-8H2,1-4H3,(H,12,13);/q;;;;+4/p-4