3-methyl-2-oxidanylidene-1,3-benzothiazole-6-sulfonate

Systemtic Name: 3-methyl-2-oxidanylidene-1,3-benzothiazole-6-sulfonate Openeye Name: 3-methyl-2-oxo-1,3-benzothiazole-6-sulfonate CAS Name: 3-methyl-2-oxo-1,3-benzothiazole-6-sulfonate IUPAC Name: 3-methyl-2-oxo-1,3-benzothiazole-6-sulfonate Traditional Name: 2-keto-3-methyl-1,3-benzothiazole-6-sulfonate Formula: C8H6NO4S2- MolecularWeight: 244.26754

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C=C(C=C2)S(=O)(=O)[O-])SC1=O

Isomeric SMILES

CN1C2=C(C=C(C=C2)S(=O)(=O)[O-])SC1=O

InChI

InChI=1S/C8H7NO4S2/c1-9-6-3-2-5(15(11,12)13)4-7(6)14-8(9)10/h2-4H,1H3,(H,11,12,13)/p-1