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: C16H32O8Zr MolecularWeight: 443.64448

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/2C6H10O3.2C2H6O.Zr/c2*1-3-9-6(8)4-5(2)7;2*1-2-3;/h2*3-4H2,1-2H3;2*3H,2H2,1H3;