(3-prop-2-enyl-1,3-benzothiazol-3-ium-2-yl)sulfanylmethanoic acid bromide

Systemtic Name: (3-prop-2-enyl-1,3-benzothiazol-3-ium-2-yl)sulfanylmethanoic acid bromide Openeye Name: (3-allyl-1,3-benzothiazol-3-ium-2-yl)sulfanylformic acid bromide CAS Name: [(3-prop-2-enyl-1,3-benzothiazol-3-ium-2-yl)thio]formic acid bromide IUPAC Name: (3-prop-2-enyl-1,3-benzothiazol-3-ium-2-yl)sulfanylformic acid bromide Traditional Name: [(3-allyl-1,3-benzothiazol-3-ium-2-yl)thio]formic acid bromide Formula: C11H10BrNO2S2 MolecularWeight: 332.2366

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Descriptors Computed from Structure

Canonical SMILES:

C=CC[N+]1=C(SC2=CC=CC=C21)SC(=O)O.[Br-]

Isomeric SMILES

C=CC[N+]1=C(SC2=CC=CC=C21)SC(=O)O.[Br-]

InChI

InChI=1S/C11H9NO2S2.BrH/c1-2-7-12-8-5-3-4-6-9(8)15-10(12)16-11(13)14;/h2-6H,1,7H2;1H