sodium (4-oxidanidylperoxysulfanylphenyl) 3-bromanylpropanoate

Systemtic Name: sodium (4-oxidanidylperoxysulfanylphenyl) 3-bromanylpropanoate Openeye Name: sodium (4-oxidoperoxysulfanylphenyl) 3-bromopropanoate CAS Name: sodium 3-bromopropanoic acid [4-(oxidodioxythio)phenyl] ester IUPAC Name: sodium (4-oxidoperoxysulfanylphenyl) 3-bromopropanoate Traditional Name: sodium 3-bromopropionic acid [4-(oxidoperoxythio)phenyl] ester Formula: C9H8BrNaO5S MolecularWeight: 331.11559

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1OC(=O)CCBr)SOO[O-].[Na+]

Isomeric SMILES

C1=CC(=CC=C1OC(=O)CCBr)SOO[O-].[Na+]

InChI

InChI=1S/C9H9BrO5S.Na/c10-6-5-9(11)13-7-1-3-8(4-2-7)16-15-14-12;/h1-4,12H,5-6H2;/q;+1/p-1