dialuminum; butan-1-olate; 2-ethyl-3-oxidanylidene-butanoate

Systemtic Name: dialuminum; butan-1-olate; 2-ethyl-3-oxidanylidene-butanoate Openeye Name: dialuminum; butan-1-olate; 2-ethyl-3-oxo-butanoate CAS Name: dialuminum; 1-butanolate; 2-ethyl-3-oxobutanoate IUPAC Name: dialuminum; butan-1-olate; 2-ethyl-3-oxobutanoate Traditional Name: dialuminum; butan-1-olate; 2-ethyl-3-keto-butyrate Formula: C30H54Al2O12 MolecularWeight: 660.705636

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Descriptors Computed from Structure

Canonical SMILES:

CCCC[O-].CCCC[O-].CCCC[O-].CCC(C(=O)C)C(=O)[O-].CCC(C(=O)C)C(=O)[O-].CCC(C(=O)C)C(=O)[O-].[Al+3].[Al+3]

Isomeric SMILES

CCCC[O-].CCCC[O-].CCCC[O-].CCC(C(=O)C)C(=O)[O-].CCC(C(=O)C)C(=O)[O-].CCC(C(=O)C)C(=O)[O-].[Al+3].[Al+3]

InChI

InChI=1S/3C6H10O3.3C4H9O.2Al/c3*1-3-5(4(2)7)6(8)9;3*1-2-3-4-5;;/h3*5H,3H2,1-2H3,(H,8,9);3*2-4H2,1H3;;/q;;;3*-1;2*+3/p-3