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

Systemtic Name: 4-(2-oxidanylbutan-2-yl)-3-phenyl-1,2,3-oxadiazol-3-ium-5-olate Openeye Name: 4-(1-hydroxy-1-methyl-propyl)-3-phenyl-oxadiazol-3-ium-5-olate CAS Name: 4-(2-hydroxybutan-2-yl)-3-phenyl-5-oxadiazol-3-iumolate IUPAC Name: 4-(2-hydroxybutan-2-yl)-3-phenyloxadiazol-3-ium-5-olate Traditional Name: 4-(1-hydroxy-1-methyl-propyl)-3-phenyl-oxadiazol-3-ium-5-olate Formula: C12H14N2O3 MolecularWeight: 234.25116

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H14N2O3/c1-3-12(2,16)10-11(15)17-13-14(10)9-7-5-4-6-8-9/h4-8,16H,3H2,1-2H3