sodium 3-(bromomethyl)benzenesulfonate

Systemtic Name: sodium 3-(bromomethyl)benzenesulfonate Openeye Name: sodium 3-(bromomethyl)benzenesulfonate CAS Name: sodium 3-(bromomethyl)benzenesulfonate IUPAC Name: sodium 3-(bromomethyl)benzenesulfonate Traditional Name: sodium 3-(bromomethyl)besylate Formula: C7H6BrNaO3S MolecularWeight: 273.07951

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)S(=O)(=O)[O-])CBr.[Na+]

Isomeric SMILES

C1=CC(=CC(=C1)S(=O)(=O)[O-])CBr.[Na+]

InChI

InChI=1S/C7H7BrO3S.Na/c8-5-6-2-1-3-7(4-6)12(9,10)11;/h1-4H,5H2,(H,9,10,11);/q;+1/p-1