sodium 3-[tris(bromanyl)methylsulfonyl]benzenesulfonate

Systemtic Name: sodium 3-[tris(bromanyl)methylsulfonyl]benzenesulfonate Openeye Name: sodium 3-(tribromomethylsulfonyl)benzenesulfonate CAS Name: sodium 3-(tribromomethylsulfonyl)benzenesulfonate IUPAC Name: sodium 3-(tribromomethylsulfonyl)benzenesulfonate Traditional Name: sodium 3-(tribromomethylsulfonyl)besylate Formula: C7H4Br3NaO5S2 MolecularWeight: 494.93543

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C7H5Br3O5S2.Na/c8-7(9,10)16(11,12)5-2-1-3-6(4-5)17(13,14)15;/h1-4H,(H,13,14,15);/q;+1/p-1