sodium 2,2,2-tris(bromanyl)-1-(3-oxidanidylperoxysulfanylphenyl)ethanone

Systemtic Name: sodium 2,2,2-tris(bromanyl)-1-(3-oxidanidylperoxysulfanylphenyl)ethanone Openeye Name: sodium 2,2,2-tribromo-1-(3-oxidoperoxysulfanylphenyl)ethanone CAS Name: sodium 3-(2,2,2-tribromo-1-oxoethyl)benzenesulfenic acid oxidooxy ester IUPAC Name: sodium 2,2,2-tribromo-1-(3-oxidoperoxysulfanylphenyl)ethanone Traditional Name: sodium 2,2,2-tribromo-1-[3-(oxidoperoxythio)phenyl]ethanone Formula: C8H4Br3NaO4S MolecularWeight: 458.88173

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)SOO[O-])C(=O)C(Br)(Br)Br.[Na+]

Isomeric SMILES

C1=CC(=CC(=C1)SOO[O-])C(=O)C(Br)(Br)Br.[Na+]

InChI

InChI=1S/C8H5Br3O4S.Na/c9-8(10,11)7(12)5-2-1-3-6(4-5)16-15-14-13;/h1-4,13H;/q;+1/p-1