phenol; 3-(2H-1,2,3,4-tetrazol-3-ium-3-yl)phenol; bromide

Systemtic Name: phenol; 3-(2H-1,2,3,4-tetrazol-3-ium-3-yl)phenol; bromide Openeye Name: phenol; 3-(2H-tetrazol-3-ium-3-yl)phenol; bromide CAS Name: phenol; 3-(2H-tetrazol-3-ium-3-yl)phenol; bromide IUPAC Name: phenol; 3-(2H-tetrazol-3-ium-3-yl)phenol; bromide Traditional Name: phenol; 3-(2H-tetrazol-3-ium-3-yl)phenol; bromide Formula: C13H13BrN4O2 MolecularWeight: 337.17192

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)O.C1=CC(=CC(=C1)O)[N+]2=NC=NN2.[Br-]

Isomeric SMILES

C1=CC=C(C=C1)O.C1=CC(=CC(=C1)O)[N+]2=NC=NN2.[Br-]

InChI

InChI=1S/C7H6N4O.C6H6O.BrH/c12-7-3-1-2-6(4-7)11-9-5-8-10-11;7-6-4-2-1-3-5-6;/h1-5,12H;1-5,7H;1H