ethylaluminum(2+); 3-oxidanylidenebutanoic acid; propan-2-olate

Systemtic Name: ethylaluminum(2+); 3-oxidanylidenebutanoic acid; propan-2-olate Openeye Name: ethylaluminum(2+); 3-oxobutanoic acid; propan-2-olate CAS Name: ethylaluminum(2+); 3-oxobutanoic acid; 2-propanolate IUPAC Name: ethylaluminum(2+); 3-oxobutanoic acid; propan-2-olate Traditional Name: acetoacetic acid; ethylaluminum(2+); propan-2-olate Formula: C12H25AlO5 MolecularWeight: 276.305438

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C4H6O3.2C3H7O.C2H5.Al/c1-3(5)2-4(6)7;2*1-3(2)4;1-2;/h2H2,1H3,(H,6,7);2*3H,1-2H3;1H2,2H3;/q;2*-1;;+2