3-[(1-oxidanidyl-2,1,3-benzoxadiazol-1-ium-5-yl)oxy]propane-1,2-diol

Systemtic Name: 3-[(1-oxidanidyl-2,1,3-benzoxadiazol-1-ium-5-yl)oxy]propane-1,2-diol Openeye Name: 3-[(1-oxido-2,1,3-benzoxadiazol-1-ium-5-yl)oxy]propane-1,2-diol CAS Name: 3-[(1-oxido-2,1,3-benzoxadiazol-1-ium-5-yl)oxy]propane-1,2-diol IUPAC Name: 3-[(1-oxido-2,1,3-benzoxadiazol-1-ium-5-yl)oxy]propane-1,2-diol Traditional Name: 3-(1-oxidobenzofurazan-1-ium-5-yl)oxypropane-1,2-diol Formula: C9H10N2O5 MolecularWeight: 226.1861

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=[N+](ON=C2C=C1OCC(CO)O)[O-]

Isomeric SMILES

C1=CC2=[N+](ON=C2C=C1OCC(CO)O)[O-]

InChI

InChI=1S/C9H10N2O5/c12-4-6(13)5-15-7-1-2-9-8(3-7)10-16-11(9)14/h1-3,6,12-13H,4-5H2