aluminum 3,4-bis(bromanyl)benzenesulfonate

Systemtic Name: aluminum 3,4-bis(bromanyl)benzenesulfonate Openeye Name: aluminum 3,4-dibromobenzenesulfonate CAS Name: aluminum 3,4-dibromobenzenesulfonate IUPAC Name: aluminum 3,4-dibromobenzenesulfonate Traditional Name: aluminum 3,4-dibromobesylate Formula: C18H9AlBr6O9S3 MolecularWeight: 971.859198

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/3C6H4Br2O3S.Al/c3*7-5-2-1-4(3-6(5)8)12(9,10)11;/h3*1-3H,(H,9,10,11);/q;;;+3/p-3