aluminum 2-cyanobenzoate

Systemtic Name: aluminum 2-cyanobenzoate Openeye Name: aluminum 2-cyanobenzoate CAS Name: aluminum 2-cyanobenzoate IUPAC Name: aluminum 2-cyanobenzoate Traditional Name: aluminum 2-cyanobenzoate Formula: C24H12AlN3O6 MolecularWeight: 465.350118

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/3C8H5NO2.Al/c3*9-5-6-3-1-2-4-7(6)8(10)11;/h3*1-4H,(H,10,11);/q;;;+3/p-3