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

Systemtic Name: methyl 3-oxidanylidenebutanoate; propan-2-ol; titanium Openeye Name: methyl 3-oxobutanoate; propan-2-ol; titanium CAS Name: 3-oxobutanoic acid methyl ester; 2-propanol; titanium IUPAC Name: methyl 3-oxobutanoate; propan-2-ol; titanium Traditional Name: 3-ketobutyric acid methyl ester; propan-2-ol; titanium Formula: C16H32O8Ti MolecularWeight: 400.28748

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/2C5H8O3.2C3H8O.Ti/c2*1-4(6)3-5(7)8-2;2*1-3(2)4;/h2*3H2,1-2H3;2*3-4H,1-2H3;