dialuminum; 1,1-diethoxyethanolate; 2-ethyl-3-oxidanylidene-butanoate

Systemtic Name: dialuminum; 1,1-diethoxyethanolate; 2-ethyl-3-oxidanylidene-butanoate Openeye Name: dialuminum; 1,1-diethoxyethanolate; 2-ethyl-3-oxo-butanoate CAS Name: dialuminum; 1,1-diethoxyethanolate; 2-ethyl-3-oxobutanoate IUPAC Name: dialuminum; 1,1-diethoxyethanolate; 2-ethyl-3-oxobutanoate Traditional Name: dialuminum; 1,1-diethoxyethanolate; 2-ethyl-3-keto-butyrate Formula: C36H66Al2O18 MolecularWeight: 840.861516

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/3C6H13O3.3C6H10O3.2Al/c3*1-4-8-6(3,7)9-5-2;3*1-3-5(4(2)7)6(8)9;;/h3*4-5H2,1-3H3;3*5H,3H2,1-2H3,(H,8,9);;/q3*-1;;;;2*+3/p-3