5-ethyl-1-[2,4,6-tris(bromanyl)phenyl]-1,2,3-triazole-4-carboxylic acid

Systemtic Name: 5-ethyl-1-[2,4,6-tris(bromanyl)phenyl]-1,2,3-triazole-4-carboxylic acid Openeye Name: 5-ethyl-1-(2,4,6-tribromophenyl)triazole-4-carboxylic acid CAS Name: 5-ethyl-1-(2,4,6-tribromophenyl)-4-triazolecarboxylic acid IUPAC Name: 5-ethyl-1-(2,4,6-tribromophenyl)triazole-4-carboxylic acid Traditional Name: 5-ethyl-1-(2,4,6-tribromophenyl)triazole-4-carboxylic acid Formula: C11H8Br3N3O2 MolecularWeight: 453.91212

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(N=NN1C2=C(C=C(C=C2Br)Br)Br)C(=O)O

Isomeric SMILES

CCC1=C(N=NN1C2=C(C=C(C=C2Br)Br)Br)C(=O)O

InChI

InChI=1S/C11H8Br3N3O2/c1-2-8-9(11(18)19)15-16-17(8)10-6(13)3-5(12)4-7(10)14/h3-4H,2H2,1H3,(H,18,19)