Pigmentyellow139
[CAS# 68859-68-7]

Identification

• Name: Pigmentyellow139
• Synonyms: 5-[3-(2,4,6-Trioxohexahydropyrimidin-5-Ylidene)Isoindolin-1-Ylidene]Hexahydropyrimidine-2,4,6-Trione; 5-[3-(2,4,6-Trioxo-5-Hexahydropyrimidinylidene)-1-Isoindolinylidene]Hexahydropyrimidine-2,4,6-Trione; 5-[3-(2,4,6-Triketohexahydropyrimidin-5-Ylidene)Isoindolin-1-Ylidene]Barbituric Acid
• Molecular Formula: C₁₆H₉N₅O₆
• Molecular Weight: 367.28
• CAS Registry Number: 68859-68-7
• SMILES: C1=CC=CC3=C1C(=C2C(NC(=O)NC2=O)=O)NC3=C4C(=O)NC(=O)NC4=O
• InChI: 1S/C16H9N5O6/c22-11-7(12(23)19-15(26)18-11)9-5-3-1-2-4-6(5)10(17-9)8-13(24)20-16(27)21-14(8)25/h1-4,17H,(H2,18,19,22,23,26)(H2,20,21,24,25,27)
• InChIKey: JSBMGPVJAADXIZ-UHFFFAOYSA-N

Properties

• Density: 1.697g/cm³ (Cal.)