3-methyl-2,1-benzothiazole-5-sulfonic acid

Systemtic Name: 3-methyl-2,1-benzothiazole-5-sulfonic acid Openeye Name: 3-methyl-2,1-benzothiazole-5-sulfonic acid CAS Name: 3-methyl-2,1-benzothiazole-5-sulfonic acid IUPAC Name: 3-methyl-2,1-benzothiazole-5-sulfonic acid Traditional Name: 3-methyl-2,1-benzothiazole-5-sulfonic acid Formula: C8H7NO3S2 MolecularWeight: 229.27608

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C=C(C=CC2=NS1)S(=O)(=O)O

Isomeric SMILES

CC1=C2C=C(C=CC2=NS1)S(=O)(=O)O

InChI

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