2-(5-chloranyl-2-methyl-1,3-benzothiazol-3-ium-3-yl)ethanoic acid bromide

Systemtic Name: 2-(5-chloranyl-2-methyl-1,3-benzothiazol-3-ium-3-yl)ethanoic acid bromide Openeye Name: 2-(5-chloro-2-methyl-1,3-benzothiazol-3-ium-3-yl)acetic acid bromide CAS Name: 2-(5-chloro-2-methyl-1,3-benzothiazol-3-ium-3-yl)acetic acid bromide IUPAC Name: 2-(5-chloro-2-methyl-1,3-benzothiazol-3-ium-3-yl)acetic acid bromide Traditional Name: 2-(5-chloro-2-methyl-1,3-benzothiazol-3-ium-3-yl)acetic acid bromide Formula: C10H9BrClNO2S MolecularWeight: 322.60596

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Descriptors Computed from Structure

Canonical SMILES:

CC1=[N+](C2=C(S1)C=CC(=C2)Cl)CC(=O)O.[Br-]

Isomeric SMILES

CC1=[N+](C2=C(S1)C=CC(=C2)Cl)CC(=O)O.[Br-]

InChI

InChI=1S/C10H8ClNO2S.BrH/c1-6-12(5-10(13)14)8-4-7(11)2-3-9(8)15-6;/h2-4H,5H2,1H3;1H