dialuminum; 3-oxidanylidenebutanoate; 1,1,1-trimethoxypropan-2-olate

Systemtic Name: dialuminum; 3-oxidanylidenebutanoate; 1,1,1-trimethoxypropan-2-olate Openeye Name: dialuminum; 3-oxobutanoate; 1,1,1-trimethoxypropan-2-olate CAS Name: dialuminum; 3-oxobutanoate; 1,1,1-trimethoxy-2-propanolate IUPAC Name: dialuminum; 3-oxobutanoate; 1,1,1-trimethoxypropan-2-olate Traditional Name: dialuminum; acetoacetate; 1,1,1-trimethoxypropan-2-olate Formula: C30H54Al2O21 MolecularWeight: 804.700236

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(OC)(OC)OC)[O-].CC(C(OC)(OC)OC)[O-].CC(C(OC)(OC)OC)[O-].CC(=O)CC(=O)[O-].CC(=O)CC(=O)[O-].CC(=O)CC(=O)[O-].[Al+3].[Al+3]

Isomeric SMILES

CC(C(OC)(OC)OC)[O-].CC(C(OC)(OC)OC)[O-].CC(C(OC)(OC)OC)[O-].CC(=O)CC(=O)[O-].CC(=O)CC(=O)[O-].CC(=O)CC(=O)[O-].[Al+3].[Al+3]

InChI

InChI=1S/3C6H13O4.3C4H6O3.2Al/c3*1-5(7)6(8-2,9-3)10-4;3*1-3(5)2-4(6)7;;/h3*5H,1-4H3;3*2H2,1H3,(H,6,7);;/q3*-1;;;;2*+3/p-3