4-butyl-3-phenyl-1,2,3-oxadiazol-3-ium-5-olate

Systemtic Name: 4-butyl-3-phenyl-1,2,3-oxadiazol-3-ium-5-olate Openeye Name: 4-butyl-3-phenyl-oxadiazol-3-ium-5-olate CAS Name: 4-butyl-3-phenyl-5-oxadiazol-3-iumolate IUPAC Name: 4-butyl-3-phenyloxadiazol-3-ium-5-olate Traditional Name: 4-butyl-3-phenyl-oxadiazol-3-ium-5-olate Formula: C12H14N2O2 MolecularWeight: 218.25176

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=C(ON=[N+]1C2=CC=CC=C2)[O-]

Isomeric SMILES

CCCCC1=C(ON=[N+]1C2=CC=CC=C2)[O-]

InChI

InChI=1S/C12H14N2O2/c1-2-3-9-11-12(15)16-13-14(11)10-7-5-4-6-8-10/h4-8H,2-3,9H2,1H3