sodium 4-[[3-[tris(bromanyl)methylsulfonyl]phenyl]carbonylamino]benzenesulfonate

Systemtic Name: sodium 4-[[3-[tris(bromanyl)methylsulfonyl]phenyl]carbonylamino]benzenesulfonate Openeye Name: sodium 4-[[3-(tribromomethylsulfonyl)benzoyl]amino]benzenesulfonate CAS Name: sodium 4-[[oxo-[3-(tribromomethylsulfonyl)phenyl]methyl]amino]benzenesulfonate IUPAC Name: sodium 4-[[3-(tribromomethylsulfonyl)benzoyl]amino]benzenesulfonate Traditional Name: sodium 4-[[3-(tribromomethylsulfonyl)benzoyl]amino]besylate Formula: C14H9Br3NNaO6S2 MolecularWeight: 614.05613

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)S(=O)(=O)C(Br)(Br)Br)C(=O)NC2=CC=C(C=C2)S(=O)(=O)[O-].[Na+]

Isomeric SMILES

C1=CC(=CC(=C1)S(=O)(=O)C(Br)(Br)Br)C(=O)NC2=CC=C(C=C2)S(=O)(=O)[O-].[Na+]

InChI

InChI=1S/C14H10Br3NO6S2.Na/c15-14(16,17)25(20,21)12-3-1-2-9(8-12)13(19)18-10-4-6-11(7-5-10)26(22,23)24;/h1-8H,(H,18,19)(H,22,23,24);/q;+1/p-1