Disodium 1-Amino-9,10-Dioxo-4-[[3-Sulfonato-4-[(2,5,6-Trichloropyrimidin-4-Yl)Amino]Phenyl]Amino]Anthracene-2-Sulfonate
[CAS# 72139-12-9]

Identification

• Name: Disodium 1-Amino-9,10-Dioxo-4-[[3-Sulfonato-4-[(2,5,6-Trichloropyrimidin-4-Yl)Amino]Phenyl]Amino]Anthracene-2-Sulfonate
• Synonyms: Disodium 1-Amino-9,10-Dioxo-4-[[3-Sulfonato-4-[(2,5,6-Trichloro-4-Pyrimidinyl)Amino]Phenyl]Amino]-2-Anthracenesulfonate; Disodium 1-Amino-9,10-Diketo-4-[[3-Sulfonato-4-[(2,5,6-Trichloropyrimidin-4-Yl)Amino]Phenyl]Amino]Anthracene-2-Sulfonate; 2-Anthracenesulfonic Acid, 1-Amino-9,10-Dihydro-9,10-Dioxo-4-((3-Sulfo-4-((2,5,6-Trichloro-4-Pyrimidinyl)Amino)Phenyl)Amino)-, Disodium Salt
• Molecular Formula: C₂₄H₁₂Cl₃N₅Na₂O₈S₂
• Molecular Weight: 714.85
• CAS Registry Number: 72139-12-9
• EINECS: 276-368-3
• SMILES: C1=C([S]([O-])(=O)=O)C(=C4C(=C1NC3=CC=C(NC2=NC(=NC(=C2Cl)Cl)Cl)C(=C3)[S]([O-])(=O)=O)C(=O)C5=C(C4=O)C=CC=C5)N.[Na+].[Na+]
• InChI: 1S/C24H14Cl3N5O8S2.2Na/c25-18-22(26)31-24(27)32-23(18)30-12-6-5-9(7-14(12)41(35,36)37)29-13-8-15(42(38,39)40)19(28)17-16(13)20(33)10-3-1-2-4-11(10)21(17)34;;/h1-8,29H,28H2,(H,30,31,32)(H,35,36,37)(H,38,39,40);;/q;2*+1/p-2
• InChIKey: FYMOBWPMQLSRNE-UHFFFAOYSA-L