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5-(trioxidanylsulfanyl)-2-[tris(bromanyl)methylsulfonyl]-1,3-benzothiazole-7-carboxylic acid

5-(trioxidanylsulfanyl)-2-[tris(bromanyl)methylsulfonyl]-1,3-benzothiazole-7-carboxylic acid

Systemtic Name:5-(trioxidanylsulfanyl)-2-[tris(bromanyl)methylsulfonyl]-1,3-benzothiazole-7-carboxylic acid
Openeye Name:2-(tribromomethylsulfonyl)-5-(trioxidanylsulfanyl)-1,3-benzothiazole-7-carboxylic acid
CAS Name:2-(tribromomethylsulfonyl)-5-(trioxidanylthio)-1,3-benzothiazole-7-carboxylic acid
IUPAC Name:2-(tribromomethylsulfonyl)-5-(trioxidanylsulfanyl)-1,3-benzothiazole-7-carboxylic acid
Traditional Name:2-(tribromomethylsulfonyl)-5-(trioxidanylthio)-1,3-benzothiazole-7-carboxylic acid
Formula: C9H4Br3NO7S3
MolecularWeight: 574.03756
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Descriptors Computed from Structure

Canonical SMILES:

C1=C(C=C(C2=C1N=C(S2)S(=O)(=O)C(Br)(Br)Br)C(=O)O)SOOO


Isomeric SMILES

C1=C(C=C(C2=C1N=C(S2)S(=O)(=O)C(Br)(Br)Br)C(=O)O)SOOO


InChI

InChI=1S/C9H4Br3NO7S3/c10-9(11,12)23(17,18)8-13-5-2-3(22-20-19-16)1-4(7(14)15)6(5)21-8/h1-2,16H,(H,14,15)


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