ethanol; ethyl 3-oxidanylidenebutanoate; zirconium

Systemtic Name: ethanol; ethyl 3-oxidanylidenebutanoate; zirconium Openeye Name: ethanol; ethyl 3-oxobutanoate; zirconium CAS Name: ethanol; 3-oxobutanoic acid ethyl ester; zirconium IUPAC Name: ethanol; ethyl 3-oxobutanoate; zirconium Traditional Name: ethanol; 3-ketobutyric acid ethyl ester; zirconium Formula: C20H36O10Zr MolecularWeight: 527.71784

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Descriptors Computed from Structure

Canonical SMILES:

CCO.CCOC(=O)CC(=O)C.CCOC(=O)CC(=O)C.CCOC(=O)CC(=O)C.[Zr]

Isomeric SMILES

CCO.CCOC(=O)CC(=O)C.CCOC(=O)CC(=O)C.CCOC(=O)CC(=O)C.[Zr]

InChI

InChI=1S/3C6H10O3.C2H6O.Zr/c3*1-3-9-6(8)4-5(2)7;1-2-3;/h3*3-4H2,1-2H3;3H,2H2,1H3;