5-bromanyl-1,2-benzothiazole-3-carboxylic acid

Systemtic Name: 5-bromanyl-1,2-benzothiazole-3-carboxylic acid Openeye Name: 5-bromo-1,2-benzothiazole-3-carboxylic acid CAS Name: 5-bromo-1,2-benzothiazole-3-carboxylic acid IUPAC Name: 5-bromo-1,2-benzothiazole-3-carboxylic acid Traditional Name: 5-bromo-1,2-benzothiazole-3-carboxylic acid Formula: C8H4BrNO2S MolecularWeight: 258.09186

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C=C1Br)C(=NS2)C(=O)O

Isomeric SMILES

C1=CC2=C(C=C1Br)C(=NS2)C(=O)O

InChI

InChI=1S/C8H4BrNO2S/c9-4-1-2-6-5(3-4)7(8(11)12)10-13-6/h1-3H,(H,11,12)