3-methyl-1,3-benzothiazol-3-ium-2-sulfonate

Systemtic Name: 3-methyl-1,3-benzothiazol-3-ium-2-sulfonate Openeye Name: 3-methyl-1,3-benzothiazol-3-ium-2-sulfonate CAS Name: 3-methyl-1,3-benzothiazol-3-ium-2-sulfonate IUPAC Name: 3-methyl-1,3-benzothiazol-3-ium-2-sulfonate Traditional Name: 3-methyl-1,3-benzothiazol-3-ium-2-sulfonate Formula: C8H7NO3S2 MolecularWeight: 229.27608

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C8H7NO3S2/c1-9-6-4-2-3-5-7(6)13-8(9)14(10,11)12/h2-5H,1H3