ethane; 3-oxidanylidenebutanoic acid; propan-2-olate; titanium

Systemtic Name: ethane; 3-oxidanylidenebutanoic acid; propan-2-olate; titanium Openeye Name: ethane; 3-oxobutanoic acid; propan-2-olate; titanium CAS Name: ethane; 3-oxobutanoic acid; 2-propanolate; titanium IUPAC Name: ethane; 3-oxobutanoic acid; propan-2-olate; titanium Traditional Name: acetoacetic acid; ethane; propan-2-olate; titanium Formula: C16H31O8Ti-3 MolecularWeight: 399.27954

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Descriptors Computed from Structure

Canonical SMILES:

C[CH2-].CC(C)[O-].CC(C)[O-].CC(=O)CC(=O)O.CC(=O)CC(=O)O.[Ti]

Isomeric SMILES

C[CH2-].CC(C)[O-].CC(C)[O-].CC(=O)CC(=O)O.CC(=O)CC(=O)O.[Ti]

InChI

InChI=1S/2C4H6O3.2C3H7O.C2H5.Ti/c2*1-3(5)2-4(6)7;2*1-3(2)4;1-2;/h2*2H2,1H3,(H,6,7);2*3H,1-2H3;1H2,2H3;/q;;3*-1;