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

Systemtic Name: ethyl 3-oxidanylidenebutanoate; propan-2-ol; titanium Openeye Name: ethyl 3-oxobutanoate; propan-2-ol; titanium CAS Name: 3-oxobutanoic acid ethyl ester; 2-propanol; titanium IUPAC Name: ethyl 3-oxobutanoate; propan-2-ol; titanium Traditional Name: 3-ketobutyric acid ethyl ester; propan-2-ol; titanium Formula: C21H38O10Ti MolecularWeight: 498.38742

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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)O.[Ti]

Isomeric SMILES

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

InChI

InChI=1S/3C6H10O3.C3H8O.Ti/c3*1-3-9-6(8)4-5(2)7;1-3(2)4;/h3*3-4H2,1-2H3;3-4H,1-2H3;