sodium 2-fluoranyl-5-(4-fluorophenyl)sulfanyl-benzenesulfonate

Systemtic Name: sodium 2-fluoranyl-5-(4-fluorophenyl)sulfanyl-benzenesulfonate Openeye Name: sodium 2-fluoro-5-(4-fluorophenyl)sulfanyl-benzenesulfonate CAS Name: sodium 2-fluoro-5-[(4-fluorophenyl)thio]benzenesulfonate IUPAC Name: sodium 2-fluoro-5-(4-fluorophenyl)sulfanylbenzenesulfonate Traditional Name: sodium 2-fluoro-5-[(4-fluorophenyl)thio]besylate Formula: C12H7F2NaO3S2 MolecularWeight: 324.298756

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1F)SC2=CC(=C(C=C2)F)S(=O)(=O)[O-].[Na+]

Isomeric SMILES

C1=CC(=CC=C1F)SC2=CC(=C(C=C2)F)S(=O)(=O)[O-].[Na+]

InChI

InChI=1S/C12H8F2O3S2.Na/c13-8-1-3-9(4-2-8)18-10-5-6-11(14)12(7-10)19(15,16)17;/h1-7H,(H,15,16,17);/q;+1/p-1