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

Systemtic Name: 6-(trioxidanylsulfanyl)-2-[tris(bromanyl)methylsulfonyl]-1,3-benzothiazole Openeye Name: 2-(tribromomethylsulfonyl)-6-(trioxidanylsulfanyl)-1,3-benzothiazole CAS Name: 2-(tribromomethylsulfonyl)-1,3-benzothiazole-6-sulfenic acid hydroperoxy ester IUPAC Name: 2-(tribromomethylsulfonyl)-6-(trioxidanylsulfanyl)-1,3-benzothiazole Traditional Name: 2-(tribromomethylsulfonyl)-6-(trioxidanylthio)-1,3-benzothiazole Formula: C8H4Br3NO5S3 MolecularWeight: 530.02806

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C=C1SOOO)SC(=N2)S(=O)(=O)C(Br)(Br)Br

Isomeric SMILES

C1=CC2=C(C=C1SOOO)SC(=N2)S(=O)(=O)C(Br)(Br)Br

InChI

InChI=1S/C8H4Br3NO5S3/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