sodium 3-bromanyl-4-oxidanyl-benzenesulfonate

Systemtic Name: sodium 3-bromanyl-4-oxidanyl-benzenesulfonate Openeye Name: sodium 3-bromo-4-hydroxy-benzenesulfonate CAS Name: sodium 3-bromo-4-hydroxybenzenesulfonate IUPAC Name: sodium 3-bromo-4-hydroxybenzenesulfonate Traditional Name: sodium 3-bromo-4-hydroxy-besylate Formula: C6H4BrNaO4S MolecularWeight: 275.05233

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1S(=O)(=O)[O-])Br)O.[Na+]

Isomeric SMILES

C1=CC(=C(C=C1S(=O)(=O)[O-])Br)O.[Na+]

InChI

InChI=1S/C6H5BrO4S.Na/c7-5-3-4(12(9,10)11)1-2-6(5)8;/h1-3,8H,(H,9,10,11);/q;+1/p-1