6-((4-Chloro-2-Sulfophenyl)Amino)-2,7-Dihydro-4(Or 5)-Methyl-2,7-Dioxo-3H-Dibenz(f,ij)Isoquinoline-1-Carboxylic Acid 1-Ethyl Ester
[CAS# 72121-77-8]

Identification

• Name: 6-((4-Chloro-2-Sulfophenyl)Amino)-2,7-Dihydro-4(Or 5)-Methyl-2,7-Dioxo-3H-Dibenz(f,ij)Isoquinoline-1-Carboxylic Acid 1-Ethyl Ester
• Molecular Formula: C₂₆H₁₉ClN₂O₇S
• Molecular Weight: 538.96
• CAS Registry Number: 72121-77-8
• SMILES: C3=C(C1=C2C(=C(C(N1)=O)C(=O)OCC)C5=C(C(C2=C3NC4=CC=C(C=C4[S](=O)(=O)O)Cl)=O)C=CC=C5)C
• InChI: 1S/C26H19ClN2O7S/c1-3-36-26(32)22-19-14-6-4-5-7-15(14)24(30)20-17(10-12(2)23(21(19)20)29-25(22)31)28-16-9-8-13(27)11-18(16)37(33,34)35/h4-11,28H,3H2,1-2H3,(H,29,31)(H,33,34,35)
• InChIKey: NFFDZKDEJARIMR-UHFFFAOYSA-N

Properties

• Density: 1.626g/cm³ (Cal.)