sodium 4-[2,2,2-tris(bromanyl)ethanoylamino]benzenesulfonate

Systemtic Name: sodium 4-[2,2,2-tris(bromanyl)ethanoylamino]benzenesulfonate Openeye Name: sodium 4-[(2,2,2-tribromoacetyl)amino]benzenesulfonate CAS Name: sodium 4-[(2,2,2-tribromo-1-oxoethyl)amino]benzenesulfonate IUPAC Name: sodium 4-[(2,2,2-tribromoacetyl)amino]benzenesulfonate Traditional Name: sodium 4-[(2,2,2-tribromoacetyl)amino]besylate Formula: C8H5Br3NNaO4S MolecularWeight: 473.89637

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1NC(=O)C(Br)(Br)Br)S(=O)(=O)[O-].[Na+]

Isomeric SMILES

C1=CC(=CC=C1NC(=O)C(Br)(Br)Br)S(=O)(=O)[O-].[Na+]

InChI

InChI=1S/C8H6Br3NO4S.Na/c9-8(10,11)7(13)12-5-1-3-6(4-2-5)17(14,15)16;/h1-4H,(H,12,13)(H,14,15,16);/q;+1/p-1