[4-(1-dimethylsulfonio-2-oxidanylidene-2-phenyl-ethyl)-5-nitro-3-oxidanidyl-1,4-dihydro-2,1,3-benzoxadiazol-3-ium-7-yl]-oxidanyl-oxidanylidene-azanium

Systemtic Name: [4-(1-dimethylsulfonio-2-oxidanylidene-2-phenyl-ethyl)-5-nitro-3-oxidanidyl-1,4-dihydro-2,1,3-benzoxadiazol-3-ium-7-yl]-oxidanyl-oxidanylidene-azanium Openeye Name: [4-(1-dimethylsulfonio-2-oxo-2-phenyl-ethyl)-5-nitro-3-oxido-1,4-dihydro-2,1,3-benzoxadiazol-3-ium-7-yl]-hydroxy-oxo-ammonium CAS Name: [4-(1-dimethylsulfonio-2-oxo-2-phenylethyl)-5-nitro-3-oxido-1,4-dihydro-2,1,3-benzoxadiazol-3-ium-7-yl]-hydroxy-oxoammonium IUPAC Name: [4-(1-dimethylsulfonio-2-oxo-2-phenylethyl)-5-nitro-3-oxido-1,4-dihydro-2,1,3-benzoxadiazol-3-ium-7-yl]-hydroxy-oxoazanium Traditional Name: [7-(1-dimethylsulfonio-2-keto-2-phenyl-ethyl)-6-nitro-1-oxido-3,7-dihydrobenzofurazan-1-ium-4-yl]-hydroxy-keto-ammonium Formula: C16H16N4O7S+2 MolecularWeight: 408.38584

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Descriptors Computed from Structure

Canonical SMILES:

C[S+](C)C(C1C(=CC(=C2C1=[N+](ON2)[O-])[N+](=O)O)[N+](=O)[O-])C(=O)C3=CC=CC=C3

Isomeric SMILES

C[S+](C)C(C1C(=CC(=C2C1=[N+](ON2)[O-])[N+](=O)O)[N+](=O)[O-])C(=O)C3=CC=CC=C3

InChI

InChI=1S/C16H16N4O7S/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/h3-8,12,16-17H,1-2H3,(H,24,25)/q+2