2-(1,3-benzothiazol-3-ium-3-yl)ethanoic acid bromide

Systemtic Name: 2-(1,3-benzothiazol-3-ium-3-yl)ethanoic acid bromide Openeye Name: 2-(1,3-benzothiazol-3-ium-3-yl)acetic acid bromide CAS Name: 2-(1,3-benzothiazol-3-ium-3-yl)acetic acid bromide IUPAC Name: 2-(1,3-benzothiazol-3-ium-3-yl)acetic acid bromide Traditional Name: 2-(1,3-benzothiazol-3-ium-3-yl)acetic acid bromide Formula: C9H8BrNO2S MolecularWeight: 274.13432

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)[N+](=CS2)CC(=O)O.[Br-]

Isomeric SMILES

C1=CC=C2C(=C1)[N+](=CS2)CC(=O)O.[Br-]

InChI

InChI=1S/C9H7NO2S.BrH/c11-9(12)5-10-6-13-8-4-2-1-3-7(8)10;/h1-4,6H,5H2;1H