sodium 5-(2-bromanyl-1-oxidanyl-ethyl)sulfonyloxy-2,4-dimethyl-benzenesulfonate

Systemtic Name: sodium 5-(2-bromanyl-1-oxidanyl-ethyl)sulfonyloxy-2,4-dimethyl-benzenesulfonate Openeye Name: sodium 5-(2-bromo-1-hydroxy-ethyl)sulfonyloxy-2,4-dimethyl-benzenesulfonate CAS Name: sodium 5-(2-bromo-1-hydroxyethyl)sulfonyloxy-2,4-dimethylbenzenesulfonate IUPAC Name: sodium 5-(2-bromo-1-hydroxyethyl)sulfonyloxy-2,4-dimethylbenzenesulfonate Traditional Name: sodium 5-(2-bromo-1-hydroxy-ethyl)sulfonyloxy-2,4-dimethyl-besylate Formula: C10H12BrNaO7S2 MolecularWeight: 411.22185

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1OS(=O)(=O)C(CBr)O)S(=O)(=O)[O-])C.[Na+]

Isomeric SMILES

CC1=CC(=C(C=C1OS(=O)(=O)C(CBr)O)S(=O)(=O)[O-])C.[Na+]

InChI

InChI=1S/C10H13BrO7S2.Na/c1-6-3-7(2)9(19(13,14)15)4-8(6)18-20(16,17)10(12)5-11;/h3-4,10,12H,5H2,1-2H3,(H,13,14,15);/q;+1/p-1