sodium 3-bromanyl-5-fluoranyl-4-oxidanyl-benzenesulfonate

Systemtic Name: sodium 3-bromanyl-5-fluoranyl-4-oxidanyl-benzenesulfonate Openeye Name: sodium 3-bromo-5-fluoro-4-hydroxy-benzenesulfonate CAS Name: sodium 3-bromo-5-fluoro-4-hydroxybenzenesulfonate IUPAC Name: sodium 3-bromo-5-fluoro-4-hydroxybenzenesulfonate Traditional Name: sodium 3-bromo-5-fluoro-4-hydroxy-besylate Formula: C6H3BrFNaO4S MolecularWeight: 293.042793

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Descriptors Computed from Structure

Canonical SMILES:

C1=C(C=C(C(=C1Br)O)F)S(=O)(=O)[O-].[Na+]

Isomeric SMILES

C1=C(C=C(C(=C1Br)O)F)S(=O)(=O)[O-].[Na+]

InChI

InChI=1S/C6H4BrFO4S.Na/c7-4-1-3(13(10,11)12)2-5(8)6(4)9;/h1-2,9H,(H,10,11,12);/q;+1/p-1