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

Systemtic Name: 4-[3-methyl-5-[tris(bromanyl)methylsulfonyl]-1,2,4-triazol-4-yl]benzenesulfonic acid Openeye Name: 4-[3-methyl-5-(tribromomethylsulfonyl)-1,2,4-triazol-4-yl]benzenesulfonic acid CAS Name: 4-[3-methyl-5-(tribromomethylsulfonyl)-1,2,4-triazol-4-yl]benzenesulfonic acid IUPAC Name: 4-[3-methyl-5-(tribromomethylsulfonyl)-1,2,4-triazol-4-yl]benzenesulfonic acid Traditional Name: 4-[3-methyl-5-(tribromomethylsulfonyl)-1,2,4-triazol-4-yl]besylic acid Formula: C10H8Br3N3O5S2 MolecularWeight: 554.02962

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C10H8Br3N3O5S2/c1-6-14-15-9(22(17,18)10(11,12)13)16(6)7-2-4-8(5-3-7)23(19,20)21/h2-5H,1H3,(H,19,20,21)