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

Systemtic Name: 4-(4-methyl-2-oxidanyl-pentan-2-yl)-3-phenyl-1,2,3-oxadiazol-3-ium-5-olate Openeye Name: 4-(1-hydroxy-1,3-dimethyl-butyl)-3-phenyl-oxadiazol-3-ium-5-olate CAS Name: 4-(2-hydroxy-4-methylpentan-2-yl)-3-phenyl-5-oxadiazol-3-iumolate IUPAC Name: 4-(2-hydroxy-4-methylpentan-2-yl)-3-phenyloxadiazol-3-ium-5-olate Traditional Name: 4-(1-hydroxy-1,3-dimethyl-butyl)-3-phenyl-oxadiazol-3-ium-5-olate Formula: C14H18N2O3 MolecularWeight: 262.30432

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H18N2O3/c1-10(2)9-14(3,18)12-13(17)19-15-16(12)11-7-5-4-6-8-11/h4-8,10,18H,9H2,1-3H3