Sodium 3-[2-[2-[3-(2-Hydroxyethyl)-5-Oxo-1-Phenyl-2-Thioxo-Imidazolidin-4-Ylidene]Ethylidene]-1,3-Benzoxazol-3-Yl]Propane-1-Sulfonate
[CAS# 34328-00-2]

Identification

• Name: Sodium 3-[2-[2-[3-(2-Hydroxyethyl)-5-Oxo-1-Phenyl-2-Thioxo-Imidazolidin-4-Ylidene]Ethylidene]-1,3-Benzoxazol-3-Yl]Propane-1-Sulfonate
• Synonyms: 3(2H)-Benzoxazolepropanesulfonic acid, 2-[[3-(2-hydroxyethyl)-5-oxo-1-phenyl-2-thioxo-4-imidazolidinylidene]ethylidene]-, monosodium salt
• Molecular Formula: C₂₃H₂₂N₃NaO₆S₂
• Molecular Weight: 523.56
• CAS Registry Number: 34328-00-2
• SMILES: c1ccc(cc1)N2C(=O)C(=CC=C3N(c4ccccc4O3)CCCS(=O)(=O)[O-])N(C2=S)CCO.[Na+]
• InChI: 1S/C23H23N3O6S2.Na/c27-15-14-25-19(22(28)26(23(25)33)17-7-2-1-3-8-17)11-12-21-24(13-6-16-34(29,30)31)18-9-4-5-10-20(18)32-21;/h1-5,7-12,27H,6,13-16H2,(H,29,30,31);/q;+1/p-1
• InChIKey: CMKGDUPYPXXDAC-UHFFFAOYSA-M