ethyl 3-oxidanylidenebutanoate; propan-2-ol; zirconium

Systemtic Name: ethyl 3-oxidanylidenebutanoate; propan-2-ol; zirconium Openeye Name: ethyl 3-oxobutanoate; propan-2-ol; zirconium CAS Name: 3-oxobutanoic acid ethyl ester; 2-propanol; zirconium IUPAC Name: ethyl 3-oxobutanoate; propan-2-ol; zirconium Traditional Name: 3-ketobutyric acid ethyl ester; propan-2-ol; zirconium Formula: C21H38O10Zr MolecularWeight: 541.74442

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/3C6H10O3.C3H8O.Zr/c3*1-3-9-6(8)4-5(2)7;1-3(2)4;/h3*3-4H2,1-2H3;3-4H,1-2H3;