aluminum; 2-acetyloxy-3-ethanoyl-benzoate; pyridine-3-carboxylate

Systemtic Name: aluminum; 2-acetyloxy-3-ethanoyl-benzoate; pyridine-3-carboxylate Openeye Name: aluminum; 2-acetoxy-3-acetyl-benzoate; pyridine-3-carboxylate CAS Name: aluminum; 3-acetyl-2-acetyloxybenzoate; 3-pyridinecarboxylate IUPAC Name: aluminum; 3-acetyl-2-acetyloxybenzoate; pyridine-3-carboxylate Traditional Name: aluminum; 2-acetoxy-3-acetyl-benzoate; nicotinate Formula: C17H13AlNO7+ MolecularWeight: 370.269158

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H10O5.C6H5NO2.Al/c1-6(12)8-4-3-5-9(11(14)15)10(8)16-7(2)13;8-6(9)5-2-1-3-7-4-5;/h3-5H,1-2H3,(H,14,15);1-4H,(H,8,9);/q;;+3/p-2