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

Systemtic Name: methyl 3-oxidanylidenebutanoate; propan-2-ol; zirconium(3+) Openeye Name: methyl 3-oxobutanoate; propan-2-ol; zirconium(3+) CAS Name: 3-oxobutanoic acid methyl ester; 2-propanol; zirconium(3+) IUPAC Name: methyl 3-oxobutanoate; propan-2-ol; zirconium(3+) Traditional Name: 3-ketobutyric acid methyl ester; propan-2-ol; zirconium(3+) Formula: C18H29O10Zr MolecularWeight: 496.64086

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/3C5H7O3.C3H8O.Zr/c3*1-4(6)3-5(7)8-2;1-3(2)4;/h3*1,3H2,2H3;3-4H,1-2H3;/q3*-1;;+3