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

Systemtic Name: 2-methylbutan-2-ol; 2,4,4-trimethyl-3-oxidanylidene-pentanoate; zirconium(2+) Openeye Name: 2-methylbutan-2-ol; 2,4,4-trimethyl-3-oxo-pentanoate; zirconium(2+) CAS Name: 2-methyl-2-butanol; 2,4,4-trimethyl-3-oxopentanoate; zirconium(2+) IUPAC Name: 2-methylbutan-2-ol; 2,4,4-trimethyl-3-oxopentanoate; zirconium(2+) Traditional Name: 3-keto-2,4,4-trimethyl-valerate; 2-methylbutan-2-ol; zirconium(2+) Formula: C26H50O8Zr MolecularWeight: 581.8944

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CCC(C)(C)O.CCC(C)(C)O.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/2C8H14O3.2C5H12O.Zr/c2*1-5(7(10)11)6(9)8(2,3)4;2*1-4-5(2,3)6;/h2*5H,1-4H3,(H,10,11);2*6H,4H2,1-3H3;/q;;;;+2/p-2