3-[[4-Amino-9,10-Dihydro-9,10-Dioxo-3-[Sulpho-4-(1,1,3,3-Tetramethylbutyl)Phenoxy]-1-Anthryl]Amino]-2,4,6-Trimethylbenzenesulphonic Acid
[CAS# 66696-74-0]

Identification

• Name: 3-[[4-Amino-9,10-Dihydro-9,10-Dioxo-3-[Sulpho-4-(1,1,3,3-Tetramethylbutyl)Phenoxy]-1-Anthryl]Amino]-2,4,6-Trimethylbenzenesulphonic Acid
• Synonyms: 3-[[4-Amino-9,10-Dioxo-3-[2-Sulfo-4-(1,1,3,3-Tetramethylbutyl)Phenoxy]-1-Anthryl]Amino]-2,4,6-Trimethyl-Benzenesulfonic Acid; 3-[[4-Amino-9,10-Dioxo-3-[2-Sulfo-4-(1,1,3,3-Tetramethylbutyl)Phenoxy]-1-Anthryl]Amino]-2,4,6-Trimethylbenzenesulfonic Acid; 3-[[4-Amino-9,10-Diketo-3-[2-Sulfo-4-(1,1,3,3-Tetramethylbutyl)Phenoxy]-1-Anthryl]Amino]-2,4,6-Trimethyl-Benzenesulfonic Acid
• Molecular Formula: C₃₇H₄₀N₂O₉S₂
• Molecular Weight: 720.85
• CAS Registry Number: 66696-74-0
• EINECS: 266-453-3
• SMILES: C4=C(NC1=C(C=C(C(=C1C)[S](O)(=O)=O)C)C)C2=C(C(=O)C3=C(C2=O)C=CC=C3)C(=C4OC5=C([S](O)(=O)=O)C=C(C(CC(C)(C)C)(C)C)C=C5)N
• InChI: 1S/C37H40N2O9S2/c1-19-15-20(2)35(50(45,46)47)21(3)32(19)39-25-17-27(31(38)30-29(25)33(40)23-11-9-10-12-24(23)34(30)41)48-26-14-13-22(16-28(26)49(42,43)44)37(7,8)18-36(4,5)6/h9-17,39H,18,38H2,1-8H3,(H,42,43,44)(H,45,46,47)
• InChIKey: CUBRDDBWRBRJIH-UHFFFAOYSA-N

Properties

• Density: 1.373g/cm³ (Cal.)