sodium 2-[[2-[tris(bromanyl)methylsulfonyl]phenyl]carbonylamino]ethanesulfonate

Systemtic Name: sodium 2-[[2-[tris(bromanyl)methylsulfonyl]phenyl]carbonylamino]ethanesulfonate Openeye Name: sodium 2-[[2-(tribromomethylsulfonyl)benzoyl]amino]ethanesulfonate CAS Name: sodium 2-[[oxo-[2-(tribromomethylsulfonyl)phenyl]methyl]amino]ethanesulfonate IUPAC Name: sodium 2-[[2-(tribromomethylsulfonyl)benzoyl]amino]ethanesulfonate Traditional Name: sodium 2-[[2-(tribromomethylsulfonyl)benzoyl]amino]ethanesulfonate Formula: C10H9Br3NNaO6S2 MolecularWeight: 566.01333

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C10H10Br3NO6S2.Na/c11-10(12,13)22(19,20)8-4-2-1-3-7(8)9(15)14-5-6-21(16,17)18;/h1-4H,5-6H2,(H,14,15)(H,16,17,18);/q;+1/p-1