dialuminum 2-sulfonatobenzoate

Systemtic Name: dialuminum 2-sulfonatobenzoate Openeye Name: dialuminum 2-sulfonatobenzoate CAS Name: dialuminum 2-sulfonatobenzoate IUPAC Name: dialuminum 2-sulfonatobenzoate Traditional Name: dialuminum 2-sulfonatobenzoate Formula: C21H12Al2O15S3 MolecularWeight: 654.469056

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/3C7H6O5S.2Al/c3*8-7(9)5-3-1-2-4-6(5)13(10,11)12;;/h3*1-4H,(H,8,9)(H,10,11,12);;/q;;;2*+3/p-6