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

Systemtic Name: 5-methyl-1-[2,4,6-tris(bromanyl)phenyl]-1,2,4-triazole-3-carboxylic acid Openeye Name: 5-methyl-1-(2,4,6-tribromophenyl)-1,2,4-triazole-3-carboxylic acid CAS Name: 5-methyl-1-(2,4,6-tribromophenyl)-1,2,4-triazole-3-carboxylic acid IUPAC Name: 5-methyl-1-(2,4,6-tribromophenyl)-1,2,4-triazole-3-carboxylic acid Traditional Name: 5-methyl-1-(2,4,6-tribromophenyl)-1,2,4-triazole-3-carboxylic acid Formula: C10H6Br3N3O2 MolecularWeight: 439.88554

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=NN1C2=C(C=C(C=C2Br)Br)Br)C(=O)O

Isomeric SMILES

CC1=NC(=NN1C2=C(C=C(C=C2Br)Br)Br)C(=O)O

InChI

InChI=1S/C10H6Br3N3O2/c1-4-14-9(10(17)18)15-16(4)8-6(12)2-5(11)3-7(8)13/h2-3H,1H3,(H,17,18)