1,1,3-tris(oxidanylidene)-2-pyridin-3-yl-1,2-benzothiazole-6-carboxylic acid

Systemtic Name: 1,1,3-tris(oxidanylidene)-2-pyridin-3-yl-1,2-benzothiazole-6-carboxylic acid Openeye Name: 1,1,3-trioxo-2-(3-pyridyl)-1,2-benzothiazole-6-carboxylic acid CAS Name: 1,1,3-trioxo-2-(3-pyridinyl)-1,2-benzothiazole-6-carboxylic acid IUPAC Name: 1,1,3-trioxo-2-pyridin-3-yl-1,2-benzothiazole-6-carboxylic acid Traditional Name: 1,1,3-triketo-2-(3-pyridyl)-1,2-benzothiazole-6-carboxylic acid Formula: C13H8N2O5S MolecularWeight: 304.27802

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CN=C1)N2C(=O)C3=C(S2(=O)=O)C=C(C=C3)C(=O)O

Isomeric SMILES

C1=CC(=CN=C1)N2C(=O)C3=C(S2(=O)=O)C=C(C=C3)C(=O)O

InChI

InChI=1S/C13H8N2O5S/c16-12-10-4-3-8(13(17)18)6-11(10)21(19,20)15(12)9-2-1-5-14-7-9/h1-7H,(H,17,18)