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

Systemtic Name: butan-1-ol; 2,4,4-trimethyl-3-oxidanylidene-pentanoate; zirconium(2+) Openeye Name: butan-1-ol; 2,4,4-trimethyl-3-oxo-pentanoate; zirconium(2+) CAS Name: 1-butanol; 2,4,4-trimethyl-3-oxopentanoate; zirconium(2+) IUPAC Name: butan-1-ol; 2,4,4-trimethyl-3-oxopentanoate; zirconium(2+) Traditional Name: butan-1-ol; 3-keto-2,4,4-trimethyl-valerate; zirconium(2+) Formula: C24H46O8Zr MolecularWeight: 553.84124

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CCCCO.CCCCO.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/2C8H14O3.2C4H10O.Zr/c2*1-5(7(10)11)6(9)8(2,3)4;2*1-2-3-4-5;/h2*5H,1-4H3,(H,10,11);2*5H,2-4H2,1H3;/q;;;;+2/p-2