aluminum 2-ethanoylpentanoate

Systemtic Name: aluminum 2-ethanoylpentanoate Openeye Name: aluminum 2-acetylpentanoate CAS Name: aluminum 2-acetylpentanoate IUPAC Name: aluminum 2-acetylpentanoate Traditional Name: aluminum 2-acetylvalerate Formula: C21H33AlO9 MolecularWeight: 456.462858

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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-].[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-].[Al+3]

InChI

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