6-methyl-1,3-benzothiazole-7-sulfonic acid

Systemtic Name: 6-methyl-1,3-benzothiazole-7-sulfonic acid Openeye Name: 6-methyl-1,3-benzothiazole-7-sulfonic acid CAS Name: 6-methyl-1,3-benzothiazole-7-sulfonic acid IUPAC Name: 6-methyl-1,3-benzothiazole-7-sulfonic acid Traditional Name: 6-methyl-1,3-benzothiazole-7-sulfonic acid Formula: C8H7NO3S2 MolecularWeight: 229.27608

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(C=C1)N=CS2)S(=O)(=O)O

Isomeric SMILES

CC1=C(C2=C(C=C1)N=CS2)S(=O)(=O)O

InChI

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