methyl 4,4-dimethyl-3-oxidanylidene-hexanoate; propan-1-ol; zirconium

Systemtic Name: methyl 4,4-dimethyl-3-oxidanylidene-hexanoate; propan-1-ol; zirconium Openeye Name: methyl 4,4-dimethyl-3-oxo-hexanoate; propan-1-ol; zirconium CAS Name: 4,4-dimethyl-3-oxohexanoic acid methyl ester; 1-propanol; zirconium IUPAC Name: methyl 4,4-dimethyl-3-oxohexanoate; propan-1-ol; zirconium Traditional Name: 3-keto-4,4-dimethyl-hexanoic acid methyl ester; propan-1-ol; zirconium Formula: C24H48O8Zr MolecularWeight: 555.85712

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Descriptors Computed from Structure

Canonical SMILES:

CCCO.CCCO.CCC(C)(C)C(=O)CC(=O)OC.CCC(C)(C)C(=O)CC(=O)OC.[Zr]

Isomeric SMILES

CCCO.CCCO.CCC(C)(C)C(=O)CC(=O)OC.CCC(C)(C)C(=O)CC(=O)OC.[Zr]

InChI

InChI=1S/2C9H16O3.2C3H8O.Zr/c2*1-5-9(2,3)7(10)6-8(11)12-4;2*1-2-3-4;/h2*5-6H2,1-4H3;2*4H,2-3H2,1H3;