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

Systemtic Name: 2-methylsulfonyl-1,3-benzothiazole-5-sulfonic acid Openeye Name: 2-methylsulfonyl-1,3-benzothiazole-5-sulfonic acid CAS Name: 2-methylsulfonyl-1,3-benzothiazole-5-sulfonic acid IUPAC Name: 2-methylsulfonyl-1,3-benzothiazole-5-sulfonic acid Traditional Name: 2-mesyl-1,3-benzothiazole-5-sulfonic acid Formula: C8H7NO5S3 MolecularWeight: 293.33988

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=NC2=C(S1)C=CC(=C2)S(=O)(=O)O

Isomeric SMILES

CS(=O)(=O)C1=NC2=C(S1)C=CC(=C2)S(=O)(=O)O

InChI

InChI=1S/C8H7NO5S3/c1-16(10,11)8-9-6-4-5(17(12,13)14)2-3-7(6)15-8/h2-4H,1H3,(H,12,13,14)