2-[[1,1,3-tris(oxidanylidene)-1,2-benzothiazol-2-yl]carbonyl]benzenesulfonic acid

Systemtic Name: 2-[[1,1,3-tris(oxidanylidene)-1,2-benzothiazol-2-yl]carbonyl]benzenesulfonic acid Openeye Name: 2-(1,1,3-trioxo-1,2-benzothiazole-2-carbonyl)benzenesulfonic acid CAS Name: 2-[oxo-(1,1,3-trioxo-1,2-benzothiazol-2-yl)methyl]benzenesulfonic acid IUPAC Name: 2-(1,1,3-trioxo-1,2-benzothiazole-2-carbonyl)benzenesulfonic acid Traditional Name: 2-(1,1,3-triketo-1,2-benzothiazole-2-carbonyl)besylic acid Formula: C14H9NO7S2 MolecularWeight: 367.35376

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)N(S2(=O)=O)C(=O)C3=CC=CC=C3S(=O)(=O)O

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)N(S2(=O)=O)C(=O)C3=CC=CC=C3S(=O)(=O)O

InChI

InChI=1S/C14H9NO7S2/c16-13-9-5-1-3-7-11(9)23(18,19)15(13)14(17)10-6-2-4-8-12(10)24(20,21)22/h1-8H,(H,20,21,22)