2-methyl-3-oxidanylidene-butanoate; propan-2-ol; titanium(2+)

Systemtic Name: 2-methyl-3-oxidanylidene-butanoate; propan-2-ol; titanium(2+) Openeye Name: 2-methyl-3-oxo-butanoate; propan-2-ol; titanium(2+) CAS Name: 2-methyl-3-oxobutanoate; 2-propanol; titanium(2+) IUPAC Name: 2-methyl-3-oxobutanoate; propan-2-ol; titanium(2+) Traditional Name: 3-keto-2-methyl-butyrate; propan-2-ol; titanium(2+) Formula: C16H30O8Ti MolecularWeight: 398.2716

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)O.CC(C)O.CC(C(=O)C)C(=O)[O-].CC(C(=O)C)C(=O)[O-].[Ti+2]

Isomeric SMILES

CC(C)O.CC(C)O.CC(C(=O)C)C(=O)[O-].CC(C(=O)C)C(=O)[O-].[Ti+2]

InChI

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