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

Systemtic Name: 7-nitro-3-oxidanidyl-4-(phenylmethyl)sulfinyl-2,1,3-benzoxadiazol-3-ium Openeye Name: 4-benzylsulfinyl-7-nitro-3-oxido-2,1,3-benzoxadiazol-3-ium CAS Name: 7-nitro-3-oxido-4-(phenylmethyl)sulfinyl-2,1,3-benzoxadiazol-3-ium IUPAC Name: 4-benzylsulfinyl-7-nitro-3-oxido-2,1,3-benzoxadiazol-3-ium Traditional Name: 7-benzylsulfinyl-4-nitro-1-oxido-benzofurazan-1-ium Formula: C13H9N3O5S MolecularWeight: 319.29266

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H9N3O5S/c17-15(18)10-6-7-11(13-12(10)14-21-16(13)19)22(20)8-9-4-2-1-3-5-9/h1-7H,8H2