5-Iodo-2-({[(2-Nitrophenoxy)Acetyl]Carbamothioyl}Amino)Benzoic Acid
[CAS# 535954-70-2]

Identification

• Name: 5-Iodo-2-({[(2-Nitrophenoxy)Acetyl]Carbamothioyl}Amino)Benzoic Acid
• Molecular Formula: C₁₆H₁₂IN₃O₆S
• Molecular Weight: 501.25
• CAS Registry Number: 535954-70-2
• SMILES: Ic1ccc(c(C(=O)O)c1)NC(=S)NC(=O)COc2ccccc2[N+]([O-])=O
• InChI: 1S/C16H12IN3O6S/c17-9-5-6-11(10(7-9)15(22)23)18-16(27)19-14(21)8-26-13-4-2-1-3-12(13)20(24)25/h1-7H,8H2,(H,22,23)(H2,18,19,21,27)
• InChIKey: VEYCCEZPZREGKW-UHFFFAOYSA-N

Properties

• Density: 1.873g/cm³ (Cal.)
• Refractive index: 1.747 (Cal.)