sodium 4-[3-(trifluoromethyl)phenyl]benzenesulfonate

Systemtic Name: sodium 4-[3-(trifluoromethyl)phenyl]benzenesulfonate Openeye Name: sodium 4-[3-(trifluoromethyl)phenyl]benzenesulfonate CAS Name: sodium 4-[3-(trifluoromethyl)phenyl]benzenesulfonate IUPAC Name: sodium 4-[3-(trifluoromethyl)phenyl]benzenesulfonate Traditional Name: sodium 4-[3-(trifluoromethyl)phenyl]besylate Formula: C13H8F3NaO3S MolecularWeight: 324.2508

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H9F3O3S.Na/c14-13(15,16)11-3-1-2-10(8-11)9-4-6-12(7-5-9)20(17,18)19;/h1-8H,(H,17,18,19);/q;+1/p-1