2-(phenylsulfonyl)-1,3-benzothiazole-5-sulfonic acid

Systemtic Name: 2-(phenylsulfonyl)-1,3-benzothiazole-5-sulfonic acid Openeye Name: 2-(benzenesulfonyl)-1,3-benzothiazole-5-sulfonic acid CAS Name: 2-(benzenesulfonyl)-1,3-benzothiazole-5-sulfonic acid IUPAC Name: 2-(benzenesulfonyl)-1,3-benzothiazole-5-sulfonic acid Traditional Name: 2-besyl-1,3-benzothiazole-5-sulfonic acid Formula: C13H9NO5S3 MolecularWeight: 355.40926

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)S(=O)(=O)C2=NC3=C(S2)C=CC(=C3)S(=O)(=O)O

Isomeric SMILES

C1=CC=C(C=C1)S(=O)(=O)C2=NC3=C(S2)C=CC(=C3)S(=O)(=O)O

InChI

InChI=1S/C13H9NO5S3/c15-21(16,9-4-2-1-3-5-9)13-14-11-8-10(22(17,18)19)6-7-12(11)20-13/h1-8H,(H,17,18,19)