5-methyl-2,1,3-benzothiadiazole-4-sulfonate

Systemtic Name: 5-methyl-2,1,3-benzothiadiazole-4-sulfonate Openeye Name: 5-methyl-2,1,3-benzothiadiazole-4-sulfonate CAS Name: 5-methyl-2,1,3-benzothiadiazole-4-sulfonate IUPAC Name: 5-methyl-2,1,3-benzothiadiazole-4-sulfonate Traditional Name: 5-methylpiazthiole-4-sulfonate Formula: C7H5N2O3S2- MolecularWeight: 229.2562

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=NSN=C2C=C1)S(=O)(=O)[O-]

Isomeric SMILES

CC1=C(C2=NSN=C2C=C1)S(=O)(=O)[O-]

InChI

InChI=1S/C7H6N2O3S2/c1-4-2-3-5-6(9-13-8-5)7(4)14(10,11)12/h2-3H,1H3,(H,10,11,12)/p-1