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

Systemtic Name: methyl 3-oxidanylidenebutanoate; propan-2-ol; zirconium(2+) Openeye Name: methyl 3-oxobutanoate; propan-2-ol; zirconium(2+) CAS Name: 3-oxobutanoic acid methyl ester; 2-propanol; zirconium(2+) IUPAC Name: methyl 3-oxobutanoate; propan-2-ol; zirconium(2+) Traditional Name: 3-ketobutyric acid methyl ester; propan-2-ol; zirconium(2+) Formula: C16H30O8Zr MolecularWeight: 441.6286

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/2C5H7O3.2C3H8O.Zr/c2*1-4(6)3-5(7)8-2;2*1-3(2)4;/h2*1,3H2,2H3;2*3-4H,1-2H3;/q2*-1;;;+2