aluminum 2-oxidanyl-5-sulfo-benzoate

Systemtic Name: aluminum 2-oxidanyl-5-sulfo-benzoate Openeye Name: aluminum 2-hydroxy-5-sulfo-benzoate CAS Name: aluminum 2-hydroxy-5-sulfobenzoate IUPAC Name: aluminum 2-hydroxy-5-sulfobenzoate Traditional Name: aluminum 2-hydroxy-5-sulfo-benzoate Formula: C21H15AlO18S3 MolecularWeight: 678.509538

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1S(=O)(=O)O)C(=O)[O-])O.C1=CC(=C(C=C1S(=O)(=O)O)C(=O)[O-])O.C1=CC(=C(C=C1S(=O)(=O)O)C(=O)[O-])O.[Al+3]

Isomeric SMILES

C1=CC(=C(C=C1S(=O)(=O)O)C(=O)[O-])O.C1=CC(=C(C=C1S(=O)(=O)O)C(=O)[O-])O.C1=CC(=C(C=C1S(=O)(=O)O)C(=O)[O-])O.[Al+3]

InChI

InChI=1S/3C7H6O6S.Al/c3*8-6-2-1-4(14(11,12)13)3-5(6)7(9)10;/h3*1-3,8H,(H,9,10)(H,11,12,13);/q;;;+3/p-3