3,5-Diiodo-2-({[(4-Nitrophenoxy)Acetyl]Carbamothioyl}Amino)Benzoic Acid
[CAS# 531519-69-4]

Identification

• Name: 3,5-Diiodo-2-({[(4-Nitrophenoxy)Acetyl]Carbamothioyl}Amino)Benzoic Acid
• Molecular Formula: C₁₆H₁₁I₂N₃O₆S
• Molecular Weight: 627.15
• CAS Registry Number: 531519-69-4
• SMILES: O=C(O)c1cc(I)cc(I)c1NC(=S)NC(=O)COc2ccc(cc2)[N+]([O-])=O
• InChI: 1S/C16H11I2N3O6S/c17-8-5-11(15(23)24)14(12(18)6-8)20-16(28)19-13(22)7-27-10-3-1-9(2-4-10)21(25)26/h1-6H,7H2,(H,23,24)(H2,19,20,22,28)
• InChIKey: OHDCXIMWRSPLGI-UHFFFAOYSA-N

Properties

• Density: 2.165g/cm³ (Cal.)
• Refractive index: 1.78 (Cal.)