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

Systemtic Name: ethyl 3-oxidanylidenebutanoate; 2-methylpropan-2-ol; titanium Openeye Name: ethyl 3-oxobutanoate; 2-methylpropan-2-ol; titanium CAS Name: 2-methyl-2-propanol; 3-oxobutanoic acid ethyl ester; titanium IUPAC Name: ethyl 3-oxobutanoate; 2-methylpropan-2-ol; titanium Traditional Name: 3-ketobutyric acid ethyl ester; 2-methylpropan-2-ol; titanium Formula: C22H40O10Ti MolecularWeight: 512.414

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/3C6H10O3.C4H10O.Ti/c3*1-3-9-6(8)4-5(2)7;1-4(2,3)5;/h3*3-4H2,1-2H3;5H,1-3H3;