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

Systemtic Name: sodium 4-[3-methyl-5-[tris(bromanyl)methylsulfonyl]-1,2,4-triazol-4-yl]benzenesulfonate Openeye Name: sodium 4-[3-methyl-5-(tribromomethylsulfonyl)-1,2,4-triazol-4-yl]benzenesulfonate CAS Name: sodium 4-[3-methyl-5-(tribromomethylsulfonyl)-1,2,4-triazol-4-yl]benzenesulfonate IUPAC Name: sodium 4-[3-methyl-5-(tribromomethylsulfonyl)-1,2,4-triazol-4-yl]benzenesulfonate Traditional Name: sodium 4-[3-methyl-5-(tribromomethylsulfonyl)-1,2,4-triazol-4-yl]besylate Formula: C10H7Br3N3NaO5S2 MolecularWeight: 576.01145

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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.[Na+]

Isomeric SMILES

CC1=NN=C(N1C2=CC=C(C=C2)S(=O)(=O)[O-])S(=O)(=O)C(Br)(Br)Br.[Na+]

InChI

InChI=1S/C10H8Br3N3O5S2.Na/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);/q;+1/p-1