Trisodium 4-[(4-Amino-9,10-Dioxo-3-Sulfonatoanthracen-1-Yl)Amino]-6-[(2,5,6-Trichloropyrimidin-4-Yl)Amino]Benzene-1,3-Disulfonate
[CAS# 72139-16-3]

Identification

• Name: Trisodium 4-[(4-Amino-9,10-Dioxo-3-Sulfonatoanthracen-1-Yl)Amino]-6-[(2,5,6-Trichloropyrimidin-4-Yl)Amino]Benzene-1,3-Disulfonate
• Synonyms: Trisodium 4-[(4-Amino-9,10-Dioxo-3-Sulfonato-1-Anthryl)Amino]-6-[(2,5,6-Trichloropyrimidin-4-Yl)Amino]Benzene-1,3-Disulfonate; Trisodium 4-[(4-Amino-9,10-Dioxo-3-Sulfonato-1-Anthryl)Amino]-6-[(2,5,6-Trichloro-4-Pyrimidinyl)Amino]Benzene-1,3-Disulfonate; Trisodium 4-[(4-Amino-9,10-Diketo-3-Sulfonato-1-Anthryl)Amino]-6-[(2,5,6-Trichloropyrimidin-4-Yl)Amino]Benzene-1,3-Disulfonate
• Molecular Formula: C₂₄H₁₁Cl₃N₅Na₃O₁₁S₃
• Molecular Weight: 816.89
• CAS Registry Number: 72139-16-3
• EINECS: 276-373-0
• SMILES: C1=C([S]([O-])(=O)=O)C(=C4C(=C1NC2=CC(=C([S]([O-])(=O)=O)C=C2[S]([O-])(=O)=O)NC3=NC(=NC(=C3Cl)Cl)Cl)C(=O)C5=C(C4=O)C=CC=C5)N.[Na+].[Na+].[Na+]
• InChI: 1S/C24H14Cl3N5O11S3.3Na/c25-18-22(26)31-24(27)32-23(18)30-11-5-10(13(44(35,36)37)7-14(11)45(38,39)40)29-12-6-15(46(41,42)43)19(28)17-16(12)20(33)8-3-1-2-4-9(8)21(17)34;;;/h1-7,29H,28H2,(H,30,31,32)(H,35,36,37)(H,38,39,40)(H,41,42,43);;;/q;3*+1/p-3
• InChIKey: KGWYMHSWTWJPQV-UHFFFAOYSA-K