7-nitro-3-oxidanidyl-4-(phenylsulfonylmethyl)-2,1,3-benzoxadiazol-3-ium

Systemtic Name: 7-nitro-3-oxidanidyl-4-(phenylsulfonylmethyl)-2,1,3-benzoxadiazol-3-ium Openeye Name: 4-(benzenesulfonylmethyl)-7-nitro-3-oxido-2,1,3-benzoxadiazol-3-ium CAS Name: 4-(benzenesulfonylmethyl)-7-nitro-3-oxido-2,1,3-benzoxadiazol-3-ium IUPAC Name: 4-(benzenesulfonylmethyl)-7-nitro-3-oxido-2,1,3-benzoxadiazol-3-ium Traditional Name: 7-(besylmethyl)-4-nitro-1-oxido-benzofurazan-1-ium Formula: C13H9N3O6S MolecularWeight: 335.29206

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)S(=O)(=O)CC2=CC=C(C3=NO[N+](=C23)[O-])[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)S(=O)(=O)CC2=CC=C(C3=NO[N+](=C23)[O-])[N+](=O)[O-]

InChI

InChI=1S/C13H9N3O6S/c17-15(18)11-7-6-9(13-12(11)14-22-16(13)19)8-23(20,21)10-4-2-1-3-5-10/h1-7H,8H2