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

Systemtic Name: 7-nitro-3-oxidanidyl-4-(phenylsulfinyl)-2,1,3-benzoxadiazol-3-ium Openeye Name: 4-(benzenesulfinyl)-7-nitro-3-oxido-2,1,3-benzoxadiazol-3-ium CAS Name: 4-(benzenesulfinyl)-7-nitro-3-oxido-2,1,3-benzoxadiazol-3-ium IUPAC Name: 4-(benzenesulfinyl)-7-nitro-3-oxido-2,1,3-benzoxadiazol-3-ium Traditional Name: 7-(benzenesulfinyl)-4-nitro-1-oxido-benzofurazan-1-ium Formula: C12H7N3O5S MolecularWeight: 305.26608

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)S(=O)C2=CC=C(C3=NO[N+](=C23)[O-])[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)S(=O)C2=CC=C(C3=NO[N+](=C23)[O-])[N+](=O)[O-]

InChI

InChI=1S/C12H7N3O5S/c16-14(17)9-6-7-10(12-11(9)13-20-15(12)18)21(19)8-4-2-1-3-5-8/h1-7H