2-ethylhexanoate; oxygen(2-); zirconium(4+)

Systemtic Name: 2-ethylhexanoate; oxygen(2-); zirconium(4+) Openeye Name: 2-ethylhexanoate; oxygen(2-); zirconium(4+) CAS Name: 2-ethylhexanoate; oxygen(2-); zirconium(4+) IUPAC Name: 2-ethylhexanoate; oxygen(2-); zirconium(4+) Traditional Name: 2-ethylhexanoate; oxygen(2-); zirconium(4+) Formula: C32H60O12Zr3 MolecularWeight: 910.4836

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(CC)C(=O)[O-].CCCCC(CC)C(=O)[O-].CCCCC(CC)C(=O)[O-].CCCCC(CC)C(=O)[O-].[O-2].[O-2].[O-2].[O-2].[Zr+4].[Zr+4].[Zr+4]

Isomeric SMILES

CCCCC(CC)C(=O)[O-].CCCCC(CC)C(=O)[O-].CCCCC(CC)C(=O)[O-].CCCCC(CC)C(=O)[O-].[O-2].[O-2].[O-2].[O-2].[Zr+4].[Zr+4].[Zr+4]

InChI

InChI=1S/4C8H16O2.4O.3Zr/c4*1-3-5-6-7(4-2)8(9)10;;;;;;;/h4*7H,3-6H2,1-2H3,(H,9,10);;;;;;;/q;;;;4*-2;3*+4/p-4