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

Systemtic Name: methyl 4,4-dimethyl-3-oxidanylidene-hexanoate; propan-1-ol; zirconium(2+) Openeye Name: methyl 4,4-dimethyl-3-oxo-hexanoate; propan-1-ol; zirconium(2+) CAS Name: 4,4-dimethyl-3-oxohexanoic acid methyl ester; 1-propanol; zirconium(2+) IUPAC Name: methyl 4,4-dimethyl-3-oxohexanoate; propan-1-ol; zirconium(2+) Traditional Name: 3-keto-4,4-dimethyl-hexanoic acid methyl ester; propan-1-ol; zirconium(2+) Formula: C24H46O8Zr MolecularWeight: 553.84124

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/2C9H15O3.2C3H8O.Zr/c2*1-5-9(2,3)7(10)6-8(11)12-4;2*1-2-3-4;/h2*1,5-6H2,2-4H3;2*4H,2-3H2,1H3;/q2*-1;;;+2