(3-methyl-1,3-benzothiazol-3-ium-2-yl)sulfanylmethanoic acid

Systemtic Name: (3-methyl-1,3-benzothiazol-3-ium-2-yl)sulfanylmethanoic acid Openeye Name: (3-methyl-1,3-benzothiazol-3-ium-2-yl)sulfanylformic acid CAS Name: [(3-methyl-1,3-benzothiazol-3-ium-2-yl)thio]formic acid IUPAC Name: (3-methyl-1,3-benzothiazol-3-ium-2-yl)sulfanylformic acid Traditional Name: [(3-methyl-1,3-benzothiazol-3-ium-2-yl)thio]formic acid Formula: C9H8NO2S2+ MolecularWeight: 226.29532

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C9H7NO2S2/c1-10-6-4-2-3-5-7(6)13-8(10)14-9(11)12/h2-5H,1H3/p+1