3-oxidanylidenebutanoate; propan-2-ol; titanium

Systemtic Name: 3-oxidanylidenebutanoate; propan-2-ol; titanium Openeye Name: 3-oxobutanoate; propan-2-ol; titanium CAS Name: 3-oxobutanoate; 2-propanol; titanium IUPAC Name: 3-oxobutanoate; propan-2-ol; titanium Traditional Name: acetoacetate; propan-2-ol; titanium Formula: C14H26O8Ti-2 MolecularWeight: 370.21844

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/2C4H6O3.2C3H8O.Ti/c2*1-3(5)2-4(6)7;2*1-3(2)4;/h2*2H2,1H3,(H,6,7);2*3-4H,1-2H3;/p-2