sodium 1,3-dimethyl-5-oxidanidylperoxysulfanyl-2-[tris(bromanyl)methylsulfonyl]benzene

Systemtic Name: sodium 1,3-dimethyl-5-oxidanidylperoxysulfanyl-2-[tris(bromanyl)methylsulfonyl]benzene Openeye Name: sodium 1,3-dimethyl-5-oxidoperoxysulfanyl-2-(tribromomethylsulfonyl)benzene CAS Name: sodium 3,5-dimethyl-4-(tribromomethylsulfonyl)benzenesulfenic acid oxidooxy ester IUPAC Name: sodium 1,3-dimethyl-5-oxidoperoxysulfanyl-2-(tribromomethylsulfonyl)benzene Traditional Name: sodium 1,3-dimethyl-5-(oxidoperoxythio)-2-(tribromomethylsulfonyl)benzene Formula: C9H8Br3NaO5S2 MolecularWeight: 522.98859

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1S(=O)(=O)C(Br)(Br)Br)C)SOO[O-].[Na+]

Isomeric SMILES

CC1=CC(=CC(=C1S(=O)(=O)C(Br)(Br)Br)C)SOO[O-].[Na+]

InChI

InChI=1S/C9H9Br3O5S2.Na/c1-5-3-7(18-17-16-13)4-6(2)8(5)19(14,15)9(10,11)12;/h3-4,13H,1-2H3;/q;+1/p-1