Trisodium alpha-(4-Hydroxy-3-Sulphonatophenyl)-alpha-(4-Oxo-3-Sulphonatocyclohexa-2,5-Dienylidene)-alpha-Toluate
[CAS# 62609-87-4]

Identification

• Name: Trisodium alpha-(4-Hydroxy-3-Sulphonatophenyl)-alpha-(4-Oxo-3-Sulphonatocyclohexa-2,5-Dienylidene)-alpha-Toluate
• Synonyms: Trisodium 2-Hydroxy-5-[1-(4-Oxido-3-Sulfonato-Phenyl)-3-Oxo-Isobenzofuran-1-Yl]Benzenesulfonate; Trisodium 2-Hydroxy-5-[1-(4-Oxido-3-Sulfonatophenyl)-3-Oxo-1-Isobenzofuranyl]Benzenesulfonate; Trisodium 2-Hydroxy-5-[3-Keto-1-(4-Oxido-3-Sulfonato-Phenyl)Isobenzofuran-1-Yl]Benzenesulfonate
• Molecular Formula: C₂₀H₁₁Na₃O₁₀S₂
• Molecular Weight: 544.39
• CAS Registry Number: 62609-87-4
• EINECS: 263-634-9
• SMILES: C1=C([S]([O-])(=O)=O)C(=CC=C1C2(OC(=O)C3=CC=CC=C23)C4=CC=C(O)C(=C4)[S]([O-])(=O)=O)[O-].[Na+].[Na+].[Na+]
• InChI: 1S/C20H14O10S2.3Na/c21-15-7-5-11(9-17(15)31(24,25)26)20(14-4-2-1-3-13(14)19(23)30-20)12-6-8-16(22)18(10-12)32(27,28)29;;;/h1-10,21-22H,(H,24,25,26)(H,27,28,29);;;/q;3*+1/p-3
• InChIKey: BLWPFMRCWCZECF-UHFFFAOYSA-K