1-[4-bromanyl-2,6-bis(chloranyl)phenyl]-5-tert-butyl-1,2,3-triazole-4-carboxylic acid

Systemtic Name: 1-[4-bromanyl-2,6-bis(chloranyl)phenyl]-5-tert-butyl-1,2,3-triazole-4-carboxylic acid Openeye Name: 1-(4-bromo-2,6-dichloro-phenyl)-5-tert-butyl-triazole-4-carboxylic acid CAS Name: 1-(4-bromo-2,6-dichlorophenyl)-5-tert-butyl-4-triazolecarboxylic acid IUPAC Name: 1-(4-bromo-2,6-dichlorophenyl)-5-tert-butyltriazole-4-carboxylic acid Traditional Name: 1-(4-bromo-2,6-dichloro-phenyl)-5-tert-butyl-triazole-4-carboxylic acid Formula: C13H12BrCl2N3O2 MolecularWeight: 393.06328

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=C(N=NN1C2=C(C=C(C=C2Cl)Br)Cl)C(=O)O

Isomeric SMILES

CC(C)(C)C1=C(N=NN1C2=C(C=C(C=C2Cl)Br)Cl)C(=O)O

InChI

InChI=1S/C13H12BrCl2N3O2/c1-13(2,3)11-9(12(20)21)17-18-19(11)10-7(15)4-6(14)5-8(10)16/h4-5H,1-3H3,(H,20,21)