ethyl 2-[[5-oxidanidyl-4-(phenylsulfonyl)-1,2,5-oxadiazol-5-ium-3-yl]oxy]ethanoate

Systemtic Name: ethyl 2-[[5-oxidanidyl-4-(phenylsulfonyl)-1,2,5-oxadiazol-5-ium-3-yl]oxy]ethanoate Openeye Name: ethyl 2-[[4-(benzenesulfonyl)-5-oxido-1,2,5-oxadiazol-5-ium-3-yl]oxy]acetate CAS Name: 2-[[4-(benzenesulfonyl)-5-oxido-1,2,5-oxadiazol-5-ium-3-yl]oxy]acetic acid ethyl ester IUPAC Name: ethyl 2-[[4-(benzenesulfonyl)-5-oxido-1,2,5-oxadiazol-5-ium-3-yl]oxy]acetate Traditional Name: 2-(4-besyl-5-oxido-furazan-5-ium-3-yl)oxyacetic acid ethyl ester Formula: C12H12N2O7S MolecularWeight: 328.29788

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)COC1=NO[N+](=C1S(=O)(=O)C2=CC=CC=C2)[O-]

Isomeric SMILES

CCOC(=O)COC1=NO[N+](=C1S(=O)(=O)C2=CC=CC=C2)[O-]

InChI

InChI=1S/C12H12N2O7S/c1-2-19-10(15)8-20-11-12(14(16)21-13-11)22(17,18)9-6-4-3-5-7-9/h3-7H,2,8H2,1H3