3-[2-(4-chlorophenyl)-2-oxidanyl-ethyl]-4-phenyl-1,2,3-oxadiazol-3-ium-5-olate

Systemtic Name: 3-[2-(4-chlorophenyl)-2-oxidanyl-ethyl]-4-phenyl-1,2,3-oxadiazol-3-ium-5-olate Openeye Name: 3-[2-(4-chlorophenyl)-2-hydroxy-ethyl]-4-phenyl-oxadiazol-3-ium-5-olate CAS Name: 3-[2-(4-chlorophenyl)-2-hydroxyethyl]-4-phenyl-5-oxadiazol-3-iumolate IUPAC Name: 3-[2-(4-chlorophenyl)-2-hydroxyethyl]-4-phenyloxadiazol-3-ium-5-olate Traditional Name: 3-[2-(4-chlorophenyl)-2-hydroxy-ethyl]-4-phenyl-oxadiazol-3-ium-5-olate Formula: C16H13ClN2O3 MolecularWeight: 316.73902

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=C(ON=[N+]2CC(C3=CC=C(C=C3)Cl)O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)C2=C(ON=[N+]2CC(C3=CC=C(C=C3)Cl)O)[O-]

InChI

InChI=1S/C16H13ClN2O3/c17-13-8-6-11(7-9-13)14(20)10-19-15(16(21)22-18-19)12-4-2-1-3-5-12/h1-9,14,20H,10H2