ethyl 3-oxidanylidenebutanoate; propan-2-ol; zirconium(2+)

Systemtic Name: ethyl 3-oxidanylidenebutanoate; propan-2-ol; zirconium(2+) Openeye Name: ethyl 3-oxobutanoate; propan-2-ol; zirconium(2+) CAS Name: 3-oxobutanoic acid ethyl ester; 2-propanol; zirconium(2+) IUPAC Name: ethyl 3-oxobutanoate; propan-2-ol; zirconium(2+) Traditional Name: 3-ketobutyric acid ethyl ester; propan-2-ol; zirconium(2+) Formula: C18H34O8Zr MolecularWeight: 469.68176

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/2C6H9O3.2C3H8O.Zr/c2*1-3-9-6(8)4-5(2)7;2*1-3(2)4;/h2*2-4H2,1H3;2*3-4H,1-2H3;/q2*-1;;;+2