dialuminum; 2-ethanoyl-3-methyl-butanoate; 2-ethanoylpentanoate

Systemtic Name: dialuminum; 2-ethanoyl-3-methyl-butanoate; 2-ethanoylpentanoate Openeye Name: dialuminum; 2-acetyl-3-methyl-butanoate; 2-acetylpentanoate CAS Name: dialuminum; 2-acetyl-3-methylbutanoate; 2-acetylpentanoate IUPAC Name: dialuminum; 2-acetyl-3-methylbutanoate; 2-acetylpentanoate Traditional Name: dialuminum; 2-acetyl-3-methyl-butyrate; 2-acetylvalerate Formula: C42H66Al2O18 MolecularWeight: 912.925716

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/6C7H12O3.2Al/c3*1-4(2)6(5(3)8)7(9)10;3*1-3-4-6(5(2)8)7(9)10;;/h3*4,6H,1-3H3,(H,9,10);3*6H,3-4H2,1-2H3,(H,9,10);;/q;;;;;;2*+3/p-6