sodium (2-methyl-4-oxidanidylperoxysulfanyl-5-oxidanyl-phenyl) 2-bromanylethanesulfonate

Systemtic Name: sodium (2-methyl-4-oxidanidylperoxysulfanyl-5-oxidanyl-phenyl) 2-bromanylethanesulfonate Openeye Name: sodium (5-hydroxy-2-methyl-4-oxidoperoxysulfanyl-phenyl) 2-bromoethanesulfonate CAS Name: sodium 2-bromoethanesulfonic acid [5-hydroxy-2-methyl-4-(oxidodioxythio)phenyl] ester IUPAC Name: sodium (5-hydroxy-2-methyl-4-oxidoperoxysulfanylphenyl) 2-bromoethanesulfonate Traditional Name: sodium 2-bromoethanesulfonic acid [5-hydroxy-2-methyl-4-(oxidoperoxythio)phenyl] ester Formula: C9H10BrNaO7S2 MolecularWeight: 397.19527

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1OS(=O)(=O)CCBr)O)SOO[O-].[Na+]

Isomeric SMILES

CC1=CC(=C(C=C1OS(=O)(=O)CCBr)O)SOO[O-].[Na+]

InChI

InChI=1S/C9H11BrO7S2.Na/c1-6-4-9(18-17-16-12)7(11)5-8(6)15-19(13,14)3-2-10;/h4-5,11-12H,2-3H2,1H3;/q;+1/p-1