2-[4-(1,3-Dibutyltetrahydro-4,6-Dioxo-2-Thioxo-5(2H)-Pyrimidinylidene)-2-Buten-1-Ylidene]-3(2H)-Benzoxazolepropanesulfonicacid Sodium Salt (1:1)
[CAS# 62796-23-0]

Identification

• Name: 2-[4-(1,3-Dibutyltetrahydro-4,6-Dioxo-2-Thioxo-5(2H)-Pyrimidinylidene)-2-Buten-1-Ylidene]-3(2H)-Benzoxazolepropanesulfonicacid Sodium Salt (1:1)
• Synonyms: Sodium 3-[(2Z)-2-[(Z)-4-(1,3-Dibutyl-4,6-Dioxo-2-Thioxo-Hexahydropyrimidin-5-Ylidene)But-2-Enylidene]-1,3-Benzoxazol-3-Yl]Propane-1-Sulfonate; Sodium 3-[(2Z)-2-[(Z)-4-(1,3-Dibutyl-4,6-Dioxo-2-Thioxo-5-Hexahydropyrimidinylidene)But-2-Enylidene]-1,3-Benzoxazol-3-Yl]Propane-1-Sulfonate; Sodium 3-[(2Z)-2-[(Z)-4-(1,3-Dibutyl-4,6-Diketo-2-Thioxo-Hexahydropyrimidin-5-Ylidene)But-2-Enylidene]-1,3-Benzoxazol-3-Yl]Propane-1-Sulfonate
• Molecular Formula: C₂₆H₃₂N₃NaO₆S₂
• Molecular Weight: 569.67
• CAS Registry Number: 62796-23-0
• SMILES: C1=CC=CC2=C1N(C(/O2)=C/C=C\C=C3C(=O)N(C(=S)N(C3=O)CCCC)CCCC)CCC[S]([O-])(=O)=O.[Na+]
• InChI: 1S/C26H33N3O6S2.Na/c1-3-5-16-28-24(30)20(25(31)29(26(28)36)17-6-4-2)12-7-10-15-23-27(18-11-19-37(32,33)34)21-13-8-9-14-22(21)35-23;/h7-10,12-15H,3-6,11,16-19H2,1-2H3,(H,32,33,34);/q;+1/p-1/b10-7-,23-15-
• InChIKey: OSQUFVVXNRMSHL-UFZWEZEMSA-M