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

Systemtic Name: 5-propyl-1-[2,4,6-tris(bromanyl)phenyl]-1,2,3-triazole-4-carboxylic acid Openeye Name: 5-propyl-1-(2,4,6-tribromophenyl)triazole-4-carboxylic acid CAS Name: 5-propyl-1-(2,4,6-tribromophenyl)-4-triazolecarboxylic acid IUPAC Name: 5-propyl-1-(2,4,6-tribromophenyl)triazole-4-carboxylic acid Traditional Name: 5-propyl-1-(2,4,6-tribromophenyl)triazole-4-carboxylic acid Formula: C12H10Br3N3O2 MolecularWeight: 467.9387

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H10Br3N3O2/c1-2-3-9-10(12(19)20)16-17-18(9)11-7(14)4-6(13)5-8(11)15/h4-5H,2-3H2,1H3,(H,19,20)