2-chloranyl-4-fluoranyl-5-(1-oxidanidyl-4,5,6,7-tetrahydrobenzotriazol-1-ium-2-yl)phenol

Systemtic Name: 2-chloranyl-4-fluoranyl-5-(1-oxidanidyl-4,5,6,7-tetrahydrobenzotriazol-1-ium-2-yl)phenol Openeye Name: 2-chloro-4-fluoro-5-(1-oxido-4,5,6,7-tetrahydrobenzotriazol-1-ium-2-yl)phenol CAS Name: 2-chloro-4-fluoro-5-(1-oxido-4,5,6,7-tetrahydrobenzotriazol-1-ium-2-yl)phenol IUPAC Name: 2-chloro-4-fluoro-5-(1-oxido-4,5,6,7-tetrahydrobenzotriazol-1-ium-2-yl)phenol Traditional Name: 2-chloro-4-fluoro-5-(1-oxido-4,5,6,7-tetrahydrobenzotriazol-1-ium-2-yl)phenol Formula: C12H11ClFN3O2 MolecularWeight: 283.686043

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=[N+](N(N=C2C1)C3=CC(=C(C=C3F)Cl)O)[O-]

Isomeric SMILES

C1CCC2=[N+](N(N=C2C1)C3=CC(=C(C=C3F)Cl)O)[O-]

InChI

InChI=1S/C12H11ClFN3O2/c13-7-5-8(14)11(6-12(7)18)16-15-9-3-1-2-4-10(9)17(16)19/h5-6,18H,1-4H2