aluminum 2,5-bis(bromanyl)benzenesulfonate

Systemtic Name: aluminum 2,5-bis(bromanyl)benzenesulfonate Openeye Name: aluminum 2,5-dibromobenzenesulfonate CAS Name: aluminum 2,5-dibromobenzenesulfonate IUPAC Name: aluminum 2,5-dibromobenzenesulfonate Traditional Name: aluminum 2,5-dibromobesylate Formula: C18H9AlBr6O9S3 MolecularWeight: 971.859198

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1Br)S(=O)(=O)[O-])Br.C1=CC(=C(C=C1Br)S(=O)(=O)[O-])Br.C1=CC(=C(C=C1Br)S(=O)(=O)[O-])Br.[Al+3]

Isomeric SMILES

C1=CC(=C(C=C1Br)S(=O)(=O)[O-])Br.C1=CC(=C(C=C1Br)S(=O)(=O)[O-])Br.C1=CC(=C(C=C1Br)S(=O)(=O)[O-])Br.[Al+3]

InChI

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