4-(3-oxidanylpentan-3-yl)-3-phenyl-1,2,3-oxadiazol-3-ium-5-olate

Systemtic Name: 4-(3-oxidanylpentan-3-yl)-3-phenyl-1,2,3-oxadiazol-3-ium-5-olate Openeye Name: 4-(1-ethyl-1-hydroxy-propyl)-3-phenyl-oxadiazol-3-ium-5-olate CAS Name: 4-(3-hydroxypentan-3-yl)-3-phenyl-5-oxadiazol-3-iumolate IUPAC Name: 4-(3-hydroxypentan-3-yl)-3-phenyloxadiazol-3-ium-5-olate Traditional Name: 4-(1-ethyl-1-hydroxy-propyl)-3-phenyl-oxadiazol-3-ium-5-olate Formula: C13H16N2O3 MolecularWeight: 248.27774

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)(C1=C(ON=[N+]1C2=CC=CC=C2)[O-])O

Isomeric SMILES

CCC(CC)(C1=C(ON=[N+]1C2=CC=CC=C2)[O-])O

InChI

InChI=1S/C13H16N2O3/c1-3-13(17,4-2)11-12(16)18-14-15(11)10-8-6-5-7-9-10/h5-9,17H,3-4H2,1-2H3