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4,4-dimethyl-3-oxidanylidene-hexanoate; propan-2-ol; zirconium

4,4-dimethyl-3-oxidanylidene-hexanoate; propan-2-ol; zirconium

Systemtic Name:4,4-dimethyl-3-oxidanylidene-hexanoate; propan-2-ol; zirconium
Openeye Name:4,4-dimethyl-3-oxo-hexanoate; propan-2-ol; zirconium
CAS Name:4,4-dimethyl-3-oxohexanoate; 2-propanol; zirconium
IUPAC Name:4,4-dimethyl-3-oxohexanoate; propan-2-ol; zirconium
Traditional Name:3-keto-4,4-dimethyl-hexanoate; propan-2-ol; zirconium
Formula: C22H42O8Zr-2
MolecularWeight: 525.78808
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Descriptors Computed from Structure

Canonical SMILES:

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


Isomeric SMILES

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


InChI

InChI=1S/2C8H14O3.2C3H8O.Zr/c2*1-4-8(2,3)6(9)5-7(10)11;2*1-3(2)4;/h2*4-5H2,1-3H3,(H,10,11);2*3-4H,1-2H3;/p-2


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