sodium 2-[[3-[tris(bromanyl)methylsulfonyl]phenyl]carbonylamino]ethanesulfonate

Systemtic Name: sodium 2-[[3-[tris(bromanyl)methylsulfonyl]phenyl]carbonylamino]ethanesulfonate Openeye Name: sodium 2-[[3-(tribromomethylsulfonyl)benzoyl]amino]ethanesulfonate CAS Name: sodium 2-[[oxo-[3-(tribromomethylsulfonyl)phenyl]methyl]amino]ethanesulfonate IUPAC Name: sodium 2-[[3-(tribromomethylsulfonyl)benzoyl]amino]ethanesulfonate Traditional Name: sodium 2-[[3-(tribromomethylsulfonyl)benzoyl]amino]ethanesulfonate Formula: C10H9Br3NNaO6S2 MolecularWeight: 566.01333

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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