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

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

Systemtic Name:2-[tris(bromanyl)methylsulfonyl]-1,3-benzothiazole-5-carboxylic acid
Openeye Name:2-(tribromomethylsulfonyl)-1,3-benzothiazole-5-carboxylic acid
CAS Name:2-(tribromomethylsulfonyl)-1,3-benzothiazole-5-carboxylic acid
IUPAC Name:2-(tribromomethylsulfonyl)-1,3-benzothiazole-5-carboxylic acid
Traditional Name:2-(tribromomethylsulfonyl)-1,3-benzothiazole-5-carboxylic acid
Formula: C9H4Br3NO4S2
MolecularWeight: 493.97436
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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C=C1C(=O)O)N=C(S2)S(=O)(=O)C(Br)(Br)Br


Isomeric SMILES

C1=CC2=C(C=C1C(=O)O)N=C(S2)S(=O)(=O)C(Br)(Br)Br


InChI

InChI=1S/C9H4Br3NO4S2/c10-9(11,12)19(16,17)8-13-5-3-4(7(14)15)1-2-6(5)18-8/h1-3H,(H,14,15)


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