2-ethylhexan-1-ol; 2,4,4-trimethyl-3-oxidanylidene-pentanoate; zirconium(2+)

Systemtic Name: 2-ethylhexan-1-ol; 2,4,4-trimethyl-3-oxidanylidene-pentanoate; zirconium(2+) Openeye Name: 2-ethylhexan-1-ol; 2,4,4-trimethyl-3-oxo-pentanoate; zirconium(2+) CAS Name: 2-ethyl-1-hexanol; 2,4,4-trimethyl-3-oxopentanoate; zirconium(2+) IUPAC Name: 2-ethylhexan-1-ol; 2,4,4-trimethyl-3-oxopentanoate; zirconium(2+) Traditional Name: 2-ethylhexan-1-ol; 3-keto-2,4,4-trimethyl-valerate; zirconium(2+) Formula: C32H62O8Zr MolecularWeight: 666.05388

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/2C8H14O3.2C8H18O.Zr/c2*1-5(7(10)11)6(9)8(2,3)4;2*1-3-5-6-8(4-2)7-9;/h2*5H,1-4H3,(H,10,11);2*8-9H,3-7H2,1-2H3;/q;;;;+2/p-2