[7-(1-dimethylsulfonio-2-oxidanylidene-2-phenyl-ethyl)-6-nitro-1-oxidanidyl-7H-2,1,3-benzoxadiazol-1-ium-4-ylidene]-bis(oxidanidyl)azanium

Systemtic Name: [7-(1-dimethylsulfonio-2-oxidanylidene-2-phenyl-ethyl)-6-nitro-1-oxidanidyl-7H-2,1,3-benzoxadiazol-1-ium-4-ylidene]-bis(oxidanidyl)azanium Openeye Name: [7-(1-dimethylsulfonio-2-oxo-2-phenyl-ethyl)-6-nitro-1-oxido-7H-2,1,3-benzoxadiazol-1-ium-4-ylidene]-dioxido-ammonium CAS Name: [7-(1-dimethylsulfonio-2-oxo-2-phenylethyl)-6-nitro-1-oxido-7H-2,1,3-benzoxadiazol-1-ium-4-ylidene]-dioxidoammonium IUPAC Name: [7-(1-dimethylsulfonio-2-oxo-2-phenylethyl)-6-nitro-1-oxido-7H-2,1,3-benzoxadiazol-1-ium-4-ylidene]-dioxidoazanium Traditional Name: [7-(1-dimethylsulfonio-2-keto-2-phenyl-ethyl)-6-nitro-1-oxido-7H-benzofurazan-1-ium-4-ylidene]-dioxido-ammonium Formula: C16H14N4O7S MolecularWeight: 406.36996

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Descriptors Computed from Structure

Canonical SMILES:

C[S+](C)C(C1C(=CC(=[N+]([O-])[O-])C2=NO[N+](=C12)[O-])[N+](=O)[O-])C(=O)C3=CC=CC=C3

Isomeric SMILES

C[S+](C(C(=O)C1=CC=CC=C1)C2C3=[N+](ON=C3/C(=[N+](\[O-])/[O-])/C=C2[N+](=O)[O-])[O-])C

InChI

InChI=1S/C16H14N4O7S/c1-28(2)16(15(21)9-6-4-3-5-7-9)12-10(18(22)23)8-11(19(24)25)13-14(12)20(26)27-17-13/h3-8,12,16H,1-2H3