(Z)-2-diazonio-1-(2-dimethylsulfonioethoxy)-2-(4-nitrophenyl)ethenolate iodide

Systemtic Name: (Z)-2-diazonio-1-(2-dimethylsulfonioethoxy)-2-(4-nitrophenyl)ethenolate iodide Openeye Name: (Z)-2-diazonio-1-(2-dimethylsulfonioethoxy)-2-(4-nitrophenyl)ethenolate iodide CAS Name: (Z)-2-diazonio-1-(2-dimethylsulfonioethoxy)-2-(4-nitrophenyl)ethenolate iodide IUPAC Name: (Z)-2-diazonio-1-(2-dimethylsulfonioethoxy)-2-(4-nitrophenyl)ethenolate iodide Traditional Name: (Z)-2-diazonio-1-(2-dimethylsulfonioethoxy)-2-(4-nitrophenyl)ethenolate iodide Formula: C12H14IN3O4S MolecularWeight: 423.22673

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Descriptors Computed from Structure

Canonical SMILES:

C[S+](C)CCOC(=C(C1=CC=C(C=C1)[N+](=O)[O-])[N+]#N)[O-].[I-]

Isomeric SMILES

C[S+](C)CCO/C(=C(/C1=CC=C(C=C1)[N+](=O)[O-])\[N+]#N)/[O-].[I-]

InChI

InChI=1S/C12H14N3O4S.HI/c1-20(2)8-7-19-12(16)11(14-13)9-3-5-10(6-4-9)15(17)18;/h3-6H,7-8H2,1-2H3;1H/q+1;/p-1/b12-11-;