sodium (3,5-dimethyl-4-oxidanidylperoxysulfanyl-phenyl) 3-bromanylpropanoate

Systemtic Name: sodium (3,5-dimethyl-4-oxidanidylperoxysulfanyl-phenyl) 3-bromanylpropanoate Openeye Name: sodium (3,5-dimethyl-4-oxidoperoxysulfanyl-phenyl) 3-bromopropanoate CAS Name: sodium 3-bromopropanoic acid [3,5-dimethyl-4-(oxidodioxythio)phenyl] ester IUPAC Name: sodium (3,5-dimethyl-4-oxidoperoxysulfanylphenyl) 3-bromopropanoate Traditional Name: sodium 3-bromopropionic acid [3,5-dimethyl-4-(oxidoperoxythio)phenyl] ester Formula: C11H12BrNaO5S MolecularWeight: 359.16875

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1SOO[O-])C)OC(=O)CCBr.[Na+]

Isomeric SMILES

CC1=CC(=CC(=C1SOO[O-])C)OC(=O)CCBr.[Na+]

InChI

InChI=1S/C11H13BrO5S.Na/c1-7-5-9(15-10(13)3-4-12)6-8(2)11(7)18-17-16-14;/h5-6,14H,3-4H2,1-2H3;/q;+1/p-1