aluminum 3-carboxy-2-sulfonato-benzoate

Systemtic Name: aluminum 3-carboxy-2-sulfonato-benzoate Openeye Name: aluminum 3-carboxy-2-sulfonato-benzoate CAS Name: aluminum 3-carboxy-2-sulfonatobenzoate IUPAC Name: aluminum 3-carboxy-2-sulfonatobenzoate Traditional Name: aluminum 3-carboxy-2-sulfonato-benzoate Formula: C24H12AlO21S3-3 MolecularWeight: 759.516018

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/3C8H6O7S.Al/c3*9-7(10)4-2-1-3-5(8(11)12)6(4)16(13,14)15;/h3*1-3H,(H,9,10)(H,11,12)(H,13,14,15);/q;;;+3/p-6