2-ethylhexanoate; oxidanylidenezirconium(2+); oxygen(2-)

Systemtic Name: 2-ethylhexanoate; oxidanylidenezirconium(2+); oxygen(2-) Openeye Name: 2-ethylhexanoate; oxozirconium(2+); oxygen(2-) CAS Name: 2-ethylhexanoate; oxozirconium(2+); oxygen(2-) IUPAC Name: 2-ethylhexanoate; oxozirconium(2+); oxygen(2-) Traditional Name: 2-ethylhexanoate; ketozirconium(2+); oxygen(2-) Formula: C16H30O7Zr2 MolecularWeight: 516.8532

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/2C8H16O2.3O.2Zr/c2*1-3-5-6-7(4-2)8(9)10;;;;;/h2*7H,3-6H2,1-2H3,(H,9,10);;;;;/q;;;;-2;2*+2/p-2