3-oxidanylidenebutanoate; propan-2-ylaluminum(2+)

Systemtic Name: 3-oxidanylidenebutanoate; propan-2-ylaluminum(2+) Openeye Name: isopropylaluminum(2+); 3-oxobutanoate CAS Name: 3-oxobutanoate; propan-2-ylaluminum(2+) IUPAC Name: 3-oxobutanoate; propan-2-ylaluminum(2+) Traditional Name: acetoacetate; isopropylaluminum(2+) Formula: C7H12AlO3+ MolecularWeight: 171.149918

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C4H6O3.C3H7.Al/c1-3(5)2-4(6)7;1-3-2;/h2H2,1H3,(H,6,7);3H,1-2H3;/q;;+2/p-1