aluminum 3-oxidanylidene-2-(phenylmethyl)butanoate

Systemtic Name: aluminum 3-oxidanylidene-2-(phenylmethyl)butanoate Openeye Name: aluminum 2-benzyl-3-oxo-butanoate CAS Name: aluminum 3-oxo-2-(phenylmethyl)butanoate IUPAC Name: aluminum 2-benzyl-3-oxobutanoate Traditional Name: aluminum 2-benzyl-3-keto-butyrate Formula: C33H33AlO9 MolecularWeight: 600.591258

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/3C11H12O3.Al/c3*1-8(12)10(11(13)14)7-9-5-3-2-4-6-9;/h3*2-6,10H,7H2,1H3,(H,13,14);/q;;;+3/p-3