sodium 6-oxidanidylperoxysulfanyl-2-[tris(bromanyl)methylsulfonyl]-1,3-benzothiazole

Systemtic Name: sodium 6-oxidanidylperoxysulfanyl-2-[tris(bromanyl)methylsulfonyl]-1,3-benzothiazole Openeye Name: sodium 6-oxidoperoxysulfanyl-2-(tribromomethylsulfonyl)-1,3-benzothiazole CAS Name: sodium 2-(tribromomethylsulfonyl)-1,3-benzothiazole-6-sulfenic acid oxidooxy ester IUPAC Name: sodium 6-oxidoperoxysulfanyl-2-(tribromomethylsulfonyl)-1,3-benzothiazole Traditional Name: sodium 6-(oxidoperoxythio)-2-(tribromomethylsulfonyl)-1,3-benzothiazole Formula: C8H3Br3NNaO5S3 MolecularWeight: 552.00989

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C=C1SOO[O-])SC(=N2)S(=O)(=O)C(Br)(Br)Br.[Na+]

Isomeric SMILES

C1=CC2=C(C=C1SOO[O-])SC(=N2)S(=O)(=O)C(Br)(Br)Br.[Na+]

InChI

InChI=1S/C8H4Br3NO5S3.Na/c9-8(10,11)20(14,15)7-12-5-2-1-4(19-17-16-13)3-6(5)18-7;/h1-3,13H;/q;+1/p-1