ethyl 3-oxidanylidenebutanoate; 2-methylpropan-2-ol; zirconium

Systemtic Name: ethyl 3-oxidanylidenebutanoate; 2-methylpropan-2-ol; zirconium Openeye Name: ethyl 3-oxobutanoate; 2-methylpropan-2-ol; zirconium CAS Name: 2-methyl-2-propanol; 3-oxobutanoic acid ethyl ester; zirconium IUPAC Name: ethyl 3-oxobutanoate; 2-methylpropan-2-ol; zirconium Traditional Name: 3-ketobutyric acid ethyl ester; 2-methylpropan-2-ol; zirconium Formula: C20H40O8Zr MolecularWeight: 499.7508

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CC(=O)C.CCOC(=O)CC(=O)C.CC(C)(C)O.CC(C)(C)O.[Zr]

Isomeric SMILES

CCOC(=O)CC(=O)C.CCOC(=O)CC(=O)C.CC(C)(C)O.CC(C)(C)O.[Zr]

InChI

InChI=1S/2C6H10O3.2C4H10O.Zr/c2*1-3-9-6(8)4-5(2)7;2*1-4(2,3)5;/h2*3-4H2,1-2H3;2*5H,1-3H3;