6-[(1R,2R)-3-oxidanidyl-1,2-bis(oxidanyl)-3-oxidanylidene-propyl]-2,1,3-benzothiadiazole-5-carboxylate

Systemtic Name: 6-[(1R,2R)-3-oxidanidyl-1,2-bis(oxidanyl)-3-oxidanylidene-propyl]-2,1,3-benzothiadiazole-5-carboxylate Openeye Name: 6-[(1R,2R)-1,2-dihydroxy-3-oxido-3-oxo-propyl]-2,1,3-benzothiadiazole-5-carboxylate CAS Name: 6-[(1R,2R)-1,2-dihydroxy-3-oxido-3-oxopropyl]-2,1,3-benzothiadiazole-5-carboxylate IUPAC Name: 6-[(1R,2R)-1,2-dihydroxy-3-oxido-3-oxopropyl]-2,1,3-benzothiadiazole-5-carboxylate Traditional Name: 6-[(1R,2R)-1,2-dihydroxy-3-keto-3-oxido-propyl]piazthiole-5-carboxylate Formula: C10H6N2O6S-2 MolecularWeight: 282.22944

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Descriptors Computed from Structure

Canonical SMILES:

C1=C(C(=CC2=NSN=C21)C(=O)[O-])C(C(C(=O)[O-])O)O

Isomeric SMILES

C1=C(C(=CC2=NSN=C21)C(=O)[O-])[C@H]([C@H](C(=O)[O-])O)O

InChI

InChI=1S/C10H8N2O6S/c13-7(8(14)10(17)18)3-1-5-6(12-19-11-5)2-4(3)9(15)16/h1-2,7-8,13-14H,(H,15,16)(H,17,18)/p-2/t7-,8-/m1/s1