sodium 4-bromanyl-2,6-dimethyl-benzenesulfinate

Systemtic Name: sodium 4-bromanyl-2,6-dimethyl-benzenesulfinate Openeye Name: sodium 4-bromo-2,6-dimethyl-benzenesulfinate CAS Name: sodium 4-bromo-2,6-dimethylbenzenesulfinate IUPAC Name: sodium 4-bromo-2,6-dimethylbenzenesulfinate Traditional Name: sodium 4-bromo-2,6-dimethyl-benzenesulfinate Formula: C8H8BrNaO2S MolecularWeight: 271.10669

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1S(=O)[O-])C)Br.[Na+]

Isomeric SMILES

CC1=CC(=CC(=C1S(=O)[O-])C)Br.[Na+]

InChI

InChI=1S/C8H9BrO2S.Na/c1-5-3-7(9)4-6(2)8(5)12(10)11;/h3-4H,1-2H3,(H,10,11);/q;+1/p-1