3-oxidanylidenebutanoate; titanium(4+)

Systemtic Name: 3-oxidanylidenebutanoate; titanium(4+) Openeye Name: 3-oxobutanoate; titanium(4+) CAS Name: 3-oxobutanoate; titanium(4+) IUPAC Name: 3-oxobutanoate; titanium(4+) Traditional Name: acetoacetate; titanium(4+) Formula: C16H20O12Ti MolecularWeight: 452.1898

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)CC(=O)[O-].CC(=O)CC(=O)[O-].CC(=O)CC(=O)[O-].CC(=O)CC(=O)[O-].[Ti+4]

Isomeric SMILES

CC(=O)CC(=O)[O-].CC(=O)CC(=O)[O-].CC(=O)CC(=O)[O-].CC(=O)CC(=O)[O-].[Ti+4]

InChI

InChI=1S/4C4H6O3.Ti/c4*1-3(5)2-4(6)7;/h4*2H2,1H3,(H,6,7);/q;;;;+4/p-4