sodium 5-oxidanidylperoxysulfanyl-1-phenyl-2-[tris(bromanyl)methylsulfonyl]benzimidazole

Systemtic Name: sodium 5-oxidanidylperoxysulfanyl-1-phenyl-2-[tris(bromanyl)methylsulfonyl]benzimidazole Openeye Name: sodium 5-oxidoperoxysulfanyl-1-phenyl-2-(tribromomethylsulfonyl)benzimidazole CAS Name: sodium 1-phenyl-2-(tribromomethylsulfonyl)-5-benzimidazolesulfenic acid oxidooxy ester IUPAC Name: sodium 5-oxidoperoxysulfanyl-1-phenyl-2-(tribromomethylsulfonyl)benzimidazole Traditional Name: sodium 5-(oxidoperoxythio)-1-phenyl-2-(tribromomethylsulfonyl)benzimidazole Formula: C14H8Br3N2NaO5S2 MolecularWeight: 611.05549

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C3=C(C=C(C=C3)SOO[O-])N=C2S(=O)(=O)C(Br)(Br)Br.[Na+]

Isomeric SMILES

C1=CC=C(C=C1)N2C3=C(C=C(C=C3)SOO[O-])N=C2S(=O)(=O)C(Br)(Br)Br.[Na+]

InChI

InChI=1S/C14H9Br3N2O5S2.Na/c15-14(16,17)26(21,22)13-18-11-8-10(25-24-23-20)6-7-12(11)19(13)9-4-2-1-3-5-9;/h1-8,20H;/q;+1/p-1