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

Systemtic Name: 5-cyclopropyl-1-[2,4,6-tris(bromanyl)phenyl]-1,2,4-triazole-3-carboxylic acid Openeye Name: 5-cyclopropyl-1-(2,4,6-tribromophenyl)-1,2,4-triazole-3-carboxylic acid CAS Name: 5-cyclopropyl-1-(2,4,6-tribromophenyl)-1,2,4-triazole-3-carboxylic acid IUPAC Name: 5-cyclopropyl-1-(2,4,6-tribromophenyl)-1,2,4-triazole-3-carboxylic acid Traditional Name: 5-cyclopropyl-1-(2,4,6-tribromophenyl)-1,2,4-triazole-3-carboxylic acid Formula: C12H8Br3N3O2 MolecularWeight: 465.92282

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1C2=NC(=NN2C3=C(C=C(C=C3Br)Br)Br)C(=O)O

Isomeric SMILES

C1CC1C2=NC(=NN2C3=C(C=C(C=C3Br)Br)Br)C(=O)O

InChI

InChI=1S/C12H8Br3N3O2/c13-6-3-7(14)9(8(15)4-6)18-11(5-1-2-5)16-10(17-18)12(19)20/h3-5H,1-2H2,(H,19,20)