butan-1-ol; methyl 4,4-dimethyl-3-oxidanylidene-hexanoate; zirconium(2+)

Systemtic Name: butan-1-ol; methyl 4,4-dimethyl-3-oxidanylidene-hexanoate; zirconium(2+) Openeye Name: butan-1-ol; methyl 4,4-dimethyl-3-oxo-hexanoate; zirconium(2+) CAS Name: 1-butanol; 4,4-dimethyl-3-oxohexanoic acid methyl ester; zirconium(2+) IUPAC Name: butan-1-ol; methyl 4,4-dimethyl-3-oxohexanoate; zirconium(2+) Traditional Name: butan-1-ol; 3-keto-4,4-dimethyl-hexanoic acid methyl ester; zirconium(2+) Formula: C26H50O8Zr MolecularWeight: 581.8944

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Descriptors Computed from Structure

Canonical SMILES:

CCCCO.CCCCO.CC(C)(C[CH2-])C(=O)CC(=O)OC.CC(C)(C[CH2-])C(=O)CC(=O)OC.[Zr+2]

Isomeric SMILES

CCCCO.CCCCO.CC(C)(C[CH2-])C(=O)CC(=O)OC.CC(C)(C[CH2-])C(=O)CC(=O)OC.[Zr+2]

InChI

InChI=1S/2C9H15O3.2C4H10O.Zr/c2*1-5-9(2,3)7(10)6-8(11)12-4;2*1-2-3-4-5;/h2*1,5-6H2,2-4H3;2*5H,2-4H2,1H3;/q2*-1;;;+2