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

Systemtic Name: ethyl 3-oxidanylidenebutanoate; 2-methylpropan-1-ol; zirconium(3+) Openeye Name: ethyl 3-oxobutanoate; 2-methylpropan-1-ol; zirconium(3+) CAS Name: 2-methyl-1-propanol; 3-oxobutanoic acid ethyl ester; zirconium(3+) IUPAC Name: ethyl 3-oxobutanoate; 2-methylpropan-1-ol; zirconium(3+) Traditional Name: 3-ketobutyric acid ethyl ester; 2-methylpropan-1-ol; zirconium(3+) Formula: C22H37O10Zr MolecularWeight: 552.74718

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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)CO.[Zr+3]

Isomeric SMILES

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

InChI

InChI=1S/3C6H9O3.C4H10O.Zr/c3*1-3-9-6(8)4-5(2)7;1-4(2)3-5;/h3*2-4H2,1H3;4-5H,3H2,1-2H3;/q3*-1;;+3