2-[(Z)-2-diazonio-2-(4-nitrophenyl)-1-oxidanyl-ethenoxy]ethyl-dimethyl-sulfanium

Systemtic Name: 2-[(Z)-2-diazonio-2-(4-nitrophenyl)-1-oxidanyl-ethenoxy]ethyl-dimethyl-sulfanium Openeye Name: 2-[(Z)-2-diazonio-1-hydroxy-2-(4-nitrophenyl)vinyloxy]ethyl-dimethyl-sulfonium CAS Name: 2-[(Z)-2-diazonio-1-hydroxy-2-(4-nitrophenyl)ethenoxy]ethyl-dimethylsulfonium IUPAC Name: 2-[(Z)-2-diazonio-1-hydroxy-2-(4-nitrophenyl)ethenoxy]ethyl-dimethylsulfanium Traditional Name: 2-[(Z)-2-diazonio-1-hydroxy-2-(4-nitrophenyl)vinyloxy]ethyl-dimethyl-sulfonium Formula: C12H15N3O4S+2 MolecularWeight: 297.3302

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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

Isomeric SMILES

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

InChI

InChI=1S/C12H14N3O4S/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/q+1/p+1/b12-11-