[4-[1-dimethylsulfonio-2-(4-methoxyphenyl)-2-oxidanylidene-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-(4-methoxyphenyl)-2-oxidanylidene-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-(4-methoxyphenyl)-2-oxo-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-(4-methoxyphenyl)-2-oxoethyl]-5-nitro-3-oxido-1,4-dihydro-2,1,3-benzoxadiazol-3-ium-7-yl]-hydroxy-oxoammonium IUPAC Name: [4-[1-dimethylsulfonio-2-(4-methoxyphenyl)-2-oxoethyl]-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-(4-methoxyphenyl)ethyl]-6-nitro-1-oxido-3,7-dihydrobenzofurazan-1-ium-4-yl]-hydroxy-keto-ammonium Formula: C17H18N4O8S+2 MolecularWeight: 438.41182

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C(=O)C(C2C(=CC(=C3C2=[N+](ON3)[O-])[N+](=O)O)[N+](=O)[O-])[S+](C)C

Isomeric SMILES

COC1=CC=C(C=C1)C(=O)C(C2C(=CC(=C3C2=[N+](ON3)[O-])[N+](=O)O)[N+](=O)[O-])[S+](C)C

InChI

InChI=1S/C17H18N4O8S/c1-28-10-6-4-9(5-7-10)16(22)17(30(2)3)13-11(19(23)24)8-12(20(25)26)14-15(13)21(27)29-18-14/h4-8,13,17-18H,1-3H3,(H,25,26)/q+2