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

Systemtic Name: 1-[2,6-bis(bromanyl)-4-methyl-phenyl]-5-propyl-1,2,3-triazole-4-carboxylic acid Openeye Name: 1-(2,6-dibromo-4-methyl-phenyl)-5-propyl-triazole-4-carboxylic acid CAS Name: 1-(2,6-dibromo-4-methylphenyl)-5-propyl-4-triazolecarboxylic acid IUPAC Name: 1-(2,6-dibromo-4-methylphenyl)-5-propyltriazole-4-carboxylic acid Traditional Name: 1-(2,6-dibromo-4-methyl-phenyl)-5-propyl-triazole-4-carboxylic acid Formula: C13H13Br2N3O2 MolecularWeight: 403.06922

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(N=NN1C2=C(C=C(C=C2Br)C)Br)C(=O)O

Isomeric SMILES

CCCC1=C(N=NN1C2=C(C=C(C=C2Br)C)Br)C(=O)O

InChI

InChI=1S/C13H13Br2N3O2/c1-3-4-10-11(13(19)20)16-17-18(10)12-8(14)5-7(2)6-9(12)15/h5-6H,3-4H2,1-2H3,(H,19,20)