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

Systemtic Name: ethyl 3-oxidanylidenebutanoate; propan-2-ol; zirconium(3+) Openeye Name: ethyl 3-oxobutanoate; propan-2-ol; zirconium(3+) CAS Name: 3-oxobutanoic acid ethyl ester; 2-propanol; zirconium(3+) IUPAC Name: ethyl 3-oxobutanoate; propan-2-ol; zirconium(3+) Traditional Name: 3-ketobutyric acid ethyl ester; propan-2-ol; zirconium(3+) Formula: C21H35O10Zr MolecularWeight: 538.7206

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CC(=O)[CH2-].CCOC(=O)CC(=O)[CH2-].CCOC(=O)CC(=O)[CH2-].CC(C)O.[Zr+3]

Isomeric SMILES

CCOC(=O)CC(=O)[CH2-].CCOC(=O)CC(=O)[CH2-].CCOC(=O)CC(=O)[CH2-].CC(C)O.[Zr+3]

InChI

InChI=1S/3C6H9O3.C3H8O.Zr/c3*1-3-9-6(8)4-5(2)7;1-3(2)4;/h3*2-4H2,1H3;3-4H,1-2H3;/q3*-1;;+3