7-methylsulfanyl-2,1,3-benzoxadiazole-4-sulfonic acid

Systemtic Name: 7-methylsulfanyl-2,1,3-benzoxadiazole-4-sulfonic acid Openeye Name: 7-methylsulfanyl-2,1,3-benzoxadiazole-4-sulfonic acid CAS Name: 7-(methylthio)-2,1,3-benzoxadiazole-4-sulfonic acid IUPAC Name: 7-methylsulfanyl-2,1,3-benzoxadiazole-4-sulfonic acid Traditional Name: 7-(methylthio)benzofurazan-4-sulfonic acid Formula: C7H6N2O4S2 MolecularWeight: 246.26354

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=C(C2=NON=C12)S(=O)(=O)O

Isomeric SMILES

CSC1=CC=C(C2=NON=C12)S(=O)(=O)O

InChI

InChI=1S/C7H6N2O4S2/c1-14-4-2-3-5(15(10,11)12)7-6(4)8-13-9-7/h2-3H,1H3,(H,10,11,12)