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

Systemtic Name: [4-[2-(4-bromophenyl)-1-dimethylsulfonio-2-oxidanylidene-ethyl]-5-nitro-3-oxidanidyl-1,4-dihydro-2,1,3-benzoxadiazol-3-ium-7-yl]-oxidanyl-oxidanylidene-azanium Openeye Name: [4-[2-(4-bromophenyl)-1-dimethylsulfonio-2-oxo-ethyl]-5-nitro-3-oxido-1,4-dihydro-2,1,3-benzoxadiazol-3-ium-7-yl]-hydroxy-oxo-ammonium CAS Name: [4-[2-(4-bromophenyl)-1-dimethylsulfonio-2-oxoethyl]-5-nitro-3-oxido-1,4-dihydro-2,1,3-benzoxadiazol-3-ium-7-yl]-hydroxy-oxoammonium IUPAC Name: [4-[2-(4-bromophenyl)-1-dimethylsulfonio-2-oxoethyl]-5-nitro-3-oxido-1,4-dihydro-2,1,3-benzoxadiazol-3-ium-7-yl]-hydroxy-oxoazanium Traditional Name: [7-[2-(4-bromophenyl)-1-dimethylsulfonio-2-keto-ethyl]-6-nitro-1-oxido-3,7-dihydrobenzofurazan-1-ium-4-yl]-hydroxy-keto-ammonium Formula: C16H15BrN4O7S+2 MolecularWeight: 487.2819

Click to see the large picture

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=C(C=C3)Br

Isomeric SMILES

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

InChI

InChI=1S/C16H15BrN4O7S/c1-29(2)16(15(22)8-3-5-9(17)6-4-8)12-10(19(23)24)7-11(20(25)26)13-14(12)21(27)28-18-13/h3-7,12,16,18H,1-2H3,(H,25,26)/q+2