methyl 3-oxidanylidenebutanoate; 2-methylpropan-1-ol; zirconium(3+)

Systemtic Name: methyl 3-oxidanylidenebutanoate; 2-methylpropan-1-ol; zirconium(3+) Openeye Name: methyl 3-oxobutanoate; 2-methylpropan-1-ol; zirconium(3+) CAS Name: 2-methyl-1-propanol; 3-oxobutanoic acid methyl ester; zirconium(3+) IUPAC Name: methyl 3-oxobutanoate; 2-methylpropan-1-ol; zirconium(3+) Traditional Name: 3-ketobutyric acid methyl ester; 2-methylpropan-1-ol; zirconium(3+) Formula: C19H31O10Zr MolecularWeight: 510.66744

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/3C5H7O3.C4H10O.Zr/c3*1-4(6)3-5(7)8-2;1-4(2)3-5;/h3*1,3H2,2H3;4-5H,3H2,1-2H3;/q3*-1;;+3