aluminum; 3-oxidanylidenehexanoate; 3-oxidanylidene-2-(phenylmethyl)butanoate

Systemtic Name: aluminum; 3-oxidanylidenehexanoate; 3-oxidanylidene-2-(phenylmethyl)butanoate Openeye Name: aluminum; 2-benzyl-3-oxo-butanoate; 3-oxohexanoate CAS Name: aluminum; 3-oxohexanoate; 3-oxo-2-(phenylmethyl)butanoate IUPAC Name: aluminum; 2-benzyl-3-oxobutanoate; 3-oxohexanoate Traditional Name: aluminum; 2-benzyl-3-keto-butyrate; 3-ketohexanoate Formula: C17H20AlO6+ MolecularWeight: 347.318638

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)CC(=O)[O-].CC(=O)C(CC1=CC=CC=C1)C(=O)[O-].[Al+3]

Isomeric SMILES

CCCC(=O)CC(=O)[O-].CC(=O)C(CC1=CC=CC=C1)C(=O)[O-].[Al+3]

InChI

InChI=1S/C11H12O3.C6H10O3.Al/c1-8(12)10(11(13)14)7-9-5-3-2-4-6-9;1-2-3-5(7)4-6(8)9;/h2-6,10H,7H2,1H3,(H,13,14);2-4H2,1H3,(H,8,9);/q;;+3/p-2