4-(3-methyl-2-oxidanyl-butan-2-yl)-3-phenyl-1,2,3-oxadiazol-3-ium-5-olate

Systemtic Name: 4-(3-methyl-2-oxidanyl-butan-2-yl)-3-phenyl-1,2,3-oxadiazol-3-ium-5-olate Openeye Name: 4-(1-hydroxy-1,2-dimethyl-propyl)-3-phenyl-oxadiazol-3-ium-5-olate CAS Name: 4-(2-hydroxy-3-methylbutan-2-yl)-3-phenyl-5-oxadiazol-3-iumolate IUPAC Name: 4-(2-hydroxy-3-methylbutan-2-yl)-3-phenyloxadiazol-3-ium-5-olate Traditional Name: 4-(1-hydroxy-1,2-dimethyl-propyl)-3-phenyl-oxadiazol-3-ium-5-olate Formula: C13H16N2O3 MolecularWeight: 248.27774

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H16N2O3/c1-9(2)13(3,17)11-12(16)18-14-15(11)10-7-5-4-6-8-10/h4-9,17H,1-3H3