aluminum 2,3,6-tris(oxidanyl)benzenesulfonate

Systemtic Name: aluminum 2,3,6-tris(oxidanyl)benzenesulfonate Openeye Name: aluminum 2,3,6-trihydroxybenzenesulfonate CAS Name: aluminum 2,3,6-trihydroxybenzenesulfonate IUPAC Name: aluminum 2,3,6-trihydroxybenzenesulfonate Traditional Name: aluminum 2,3,6-trihydroxybesylate Formula: C18H15AlO18S3 MolecularWeight: 642.477438

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C(=C1O)O)S(=O)(=O)[O-])O.C1=CC(=C(C(=C1O)O)S(=O)(=O)[O-])O.C1=CC(=C(C(=C1O)O)S(=O)(=O)[O-])O.[Al+3]

Isomeric SMILES

C1=CC(=C(C(=C1O)O)S(=O)(=O)[O-])O.C1=CC(=C(C(=C1O)O)S(=O)(=O)[O-])O.C1=CC(=C(C(=C1O)O)S(=O)(=O)[O-])O.[Al+3]

InChI

InChI=1S/3C6H6O6S.Al/c3*7-3-1-2-4(8)6(5(3)9)13(10,11)12;/h3*1-2,7-9H,(H,10,11,12);/q;;;+3/p-3