(2-methoxy-5-nitro-phenyl) 2,1,3-benzothiadiazole-4-sulfonate

Systemtic Name: (2-methoxy-5-nitro-phenyl) 2,1,3-benzothiadiazole-4-sulfonate Openeye Name: (2-methoxy-5-nitro-phenyl) 2,1,3-benzothiadiazole-4-sulfonate CAS Name: 2,1,3-benzothiadiazole-4-sulfonic acid (2-methoxy-5-nitrophenyl) ester IUPAC Name: (2-methoxy-5-nitrophenyl) 2,1,3-benzothiadiazole-4-sulfonate Traditional Name: piazthiole-4-sulfonic acid (2-methoxy-5-nitro-phenyl) ester Formula: C13H9N3O6S2 MolecularWeight: 367.35706

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)[N+](=O)[O-])OS(=O)(=O)C2=CC=CC3=NSN=C32

Isomeric SMILES

COC1=C(C=C(C=C1)[N+](=O)[O-])OS(=O)(=O)C2=CC=CC3=NSN=C32

InChI

InChI=1S/C13H9N3O6S2/c1-21-10-6-5-8(16(17)18)7-11(10)22-24(19,20)12-4-2-3-9-13(12)15-23-14-9/h2-7H,1H3