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

Systemtic Name: 4-[[5-oxidanidyl-4-(phenylsulfonyl)-1,2,5-oxadiazol-5-ium-3-yl]oxy]butan-2-ol Openeye Name: 4-[[4-(benzenesulfonyl)-5-oxido-1,2,5-oxadiazol-5-ium-3-yl]oxy]butan-2-ol CAS Name: 4-[[4-(benzenesulfonyl)-5-oxido-1,2,5-oxadiazol-5-ium-3-yl]oxy]-2-butanol IUPAC Name: 4-[[4-(benzenesulfonyl)-5-oxido-1,2,5-oxadiazol-5-ium-3-yl]oxy]butan-2-ol Traditional Name: 4-(4-besyl-5-oxido-furazan-5-ium-3-yl)oxybutan-2-ol Formula: C12H14N2O6S MolecularWeight: 314.31436

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCOC1=NO[N+](=C1S(=O)(=O)C2=CC=CC=C2)[O-])O

Isomeric SMILES

CC(CCOC1=NO[N+](=C1S(=O)(=O)C2=CC=CC=C2)[O-])O

InChI

InChI=1S/C12H14N2O6S/c1-9(15)7-8-19-11-12(14(16)20-13-11)21(17,18)10-5-3-2-4-6-10/h2-6,9,15H,7-8H2,1H3