2-{[(4-Ethoxy-3-Nitrobenzoyl)Carbamothioyl]Amino}-5-Iodobenzoic Acid
[CAS# 530153-22-1]

Identification

• Name: 2-{[(4-Ethoxy-3-Nitrobenzoyl)Carbamothioyl]Amino}-5-Iodobenzoic Acid
• Molecular Formula: C₁₇H₁₄IN₃O₆S
• Molecular Weight: 515.28
• CAS Registry Number: 530153-22-1
• SMILES: Ic1ccc(c(C(=O)O)c1)NC(=S)NC(=O)c2ccc(OCC)c(c2)[N+]([O-])=O
• InChI: 1S/C17H14IN3O6S/c1-2-27-14-6-3-9(7-13(14)21(25)26)15(22)20-17(28)19-12-5-4-10(18)8-11(12)16(23)24/h3-8H,2H2,1H3,(H,23,24)(H2,19,20,22,28)
• InChIKey: AKGBCDHBVHVNFH-UHFFFAOYSA-N

Properties

• Density: 1.804g/cm³ (Cal.)
• Refractive index: 1.73 (Cal.)