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

Systemtic Name: (Z)-2-(4-chlorophenyl)-2-diazonio-1-(2-dimethylsulfonioethoxy)ethenolate iodide Openeye Name: (Z)-2-(4-chlorophenyl)-2-diazonio-1-(2-dimethylsulfonioethoxy)ethenolate iodide CAS Name: (Z)-2-(4-chlorophenyl)-2-diazonio-1-(2-dimethylsulfonioethoxy)ethenolate iodide IUPAC Name: (Z)-2-(4-chlorophenyl)-2-diazonio-1-(2-dimethylsulfonioethoxy)ethenolate iodide Traditional Name: (Z)-2-(4-chlorophenyl)-2-diazonio-1-(2-dimethylsulfonioethoxy)ethenolate iodide Formula: C12H14ClIN2O2S MolecularWeight: 412.67423

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H14ClN2O2S.HI/c1-18(2)8-7-17-12(16)11(15-14)9-3-5-10(13)6-4-9;/h3-6H,7-8H2,1-2H3;1H/q+1;/p-1/b12-11-;