3-methyl-1,3-benzothiazol-3-ium-2-sulfonic acid

Systemtic Name: 3-methyl-1,3-benzothiazol-3-ium-2-sulfonic acid Openeye Name: 3-methyl-1,3-benzothiazol-3-ium-2-sulfonic acid CAS Name: 3-methyl-1,3-benzothiazol-3-ium-2-sulfonic acid IUPAC Name: 3-methyl-1,3-benzothiazol-3-ium-2-sulfonic acid Traditional Name: 3-methyl-1,3-benzothiazol-3-ium-2-sulfonic acid Formula: C8H8NO3S2+ MolecularWeight: 230.28402

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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/p+1