aluminum 2-acetyloxy-3-ethanoyl-benzoate

Systemtic Name: aluminum 2-acetyloxy-3-ethanoyl-benzoate Openeye Name: aluminum 2-acetoxy-3-acetyl-benzoate CAS Name: aluminum 3-acetyl-2-acetyloxybenzoate IUPAC Name: aluminum 3-acetyl-2-acetyloxybenzoate Traditional Name: aluminum 2-acetoxy-3-acetyl-benzoate Formula: C33H27AlO15 MolecularWeight: 690.540018

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/3C11H10O5.Al/c3*1-6(12)8-4-3-5-9(11(14)15)10(8)16-7(2)13;/h3*3-5H,1-2H3,(H,14,15);/q;;;+3/p-3