sodium 4-[[2,4,5-tris(chloranyl)phenyl]sulfonylamino]benzenesulfonate

Systemtic Name: sodium 4-[[2,4,5-tris(chloranyl)phenyl]sulfonylamino]benzenesulfonate Openeye Name: sodium 4-[(2,4,5-trichlorophenyl)sulfonylamino]benzenesulfonate CAS Name: sodium 4-[(2,4,5-trichlorophenyl)sulfonylamino]benzenesulfonate IUPAC Name: sodium 4-[(2,4,5-trichlorophenyl)sulfonylamino]benzenesulfonate Traditional Name: sodium 4-[(2,4,5-trichlorophenyl)sulfonylamino]besylate Formula: C12H7Cl3NNaO5S2 MolecularWeight: 438.66645

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1NS(=O)(=O)C2=CC(=C(C=C2Cl)Cl)Cl)S(=O)(=O)[O-].[Na+]

Isomeric SMILES

C1=CC(=CC=C1NS(=O)(=O)C2=CC(=C(C=C2Cl)Cl)Cl)S(=O)(=O)[O-].[Na+]

InChI

InChI=1S/C12H8Cl3NO5S2.Na/c13-9-5-11(15)12(6-10(9)14)22(17,18)16-7-1-3-8(4-2-7)23(19,20)21;/h1-6,16H,(H,19,20,21);/q;+1/p-1