3,5-Dichloro-2-({[3-(3,5-Dibromo-2-Methoxyphenyl)Acryloyl]Carbamothioyl}Amino)Benzoic Acid
[CAS# 531533-76-3]

Identification

• Name: 3,5-Dichloro-2-({[3-(3,5-Dibromo-2-Methoxyphenyl)Acryloyl]Carbamothioyl}Amino)Benzoic Acid
• Molecular Formula: C₁₈H₁₂Br₂Cl₂N₂O₄S
• Molecular Weight: 583.08
• CAS Registry Number: 531533-76-3
• SMILES: Brc1cc(Br)cc(c1OC)C=CC(=O)NC(=S)Nc2c(C(=O)O)cc(Cl)cc2Cl
• InChI: 1S/C18H12Br2Cl2N2O4S/c1-28-16-8(4-9(19)5-12(16)20)2-3-14(25)23-18(29)24-15-11(17(26)27)6-10(21)7-13(15)22/h2-7H,1H3,(H,26,27)(H2,23,24,25,29)
• InChIKey: FLPAHSQIRHNKOC-UHFFFAOYSA-N

Properties

• Density: 1.854g/cm³ (Cal.)
• Refractive index: 1.731 (Cal.)