sodium 4-bromanylbenzenesulfonate

Systemtic Name: sodium 4-bromanylbenzenesulfonate Openeye Name: sodium 4-bromobenzenesulfonate CAS Name: sodium 4-bromobenzenesulfonate IUPAC Name: sodium 4-bromobenzenesulfonate Traditional Name: sodium brosylate Formula: C6H4BrNaO3S MolecularWeight: 259.05293

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C6H5BrO3S.Na/c7-5-1-3-6(4-2-5)11(8,9)10;/h1-4H,(H,8,9,10);/q;+1/p-1