3-[3-methyl-5-[tris(bromanyl)methylsulfonyl]-1,2,4-triazol-4-yl]benzoic acid

Systemtic Name: 3-[3-methyl-5-[tris(bromanyl)methylsulfonyl]-1,2,4-triazol-4-yl]benzoic acid Openeye Name: 3-[3-methyl-5-(tribromomethylsulfonyl)-1,2,4-triazol-4-yl]benzoic acid CAS Name: 3-[3-methyl-5-(tribromomethylsulfonyl)-1,2,4-triazol-4-yl]benzoic acid IUPAC Name: 3-[3-methyl-5-(tribromomethylsulfonyl)-1,2,4-triazol-4-yl]benzoic acid Traditional Name: 3-[3-methyl-5-(tribromomethylsulfonyl)-1,2,4-triazol-4-yl]benzoic acid Formula: C11H8Br3N3O4S MolecularWeight: 517.97592

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN=C(N1C2=CC=CC(=C2)C(=O)O)S(=O)(=O)C(Br)(Br)Br

Isomeric SMILES

CC1=NN=C(N1C2=CC=CC(=C2)C(=O)O)S(=O)(=O)C(Br)(Br)Br

InChI

InChI=1S/C11H8Br3N3O4S/c1-6-15-16-10(22(20,21)11(12,13)14)17(6)8-4-2-3-7(5-8)9(18)19/h2-5H,1H3,(H,18,19)