Trisodium 1-Amino-4-[[3-[[4-Chloro-6-[(4-Sulfonatophenyl)Amino]-1,3,5-Triazin-2-Yl]Amino]-2,4,6-Trimethyl-5-Sulfonatophenyl]Amino]-9,10-Dioxoanthracene-2-Sulfonate
[CAS 72927-93-6]

Identification

• Name: Trisodium 1-Amino-4-[[3-[[4-Chloro-6-[(4-Sulfonatophenyl)Amino]-1,3,5-Triazin-2-Yl]Amino]-2,4,6-Trimethyl-5-Sulfonatophenyl]Amino]-9,10-Dioxoanthracene-2-Sulfonate
• Synonyms: Trisodium 1-Amino-4-[[3-[[4-Chloro-6-[(4-Sulfonatophenyl)Amino]-1,3,5-Triazin-2-Yl]Amino]-2,4,6-Trimethyl-5-Sulfonato-Phenyl]Amino]-9,10-Dioxo-Anthracene-2-Sulfonate; Trisodium 1-Amino-4-[[3-[[4-Chloro-6-[(4-Sulfonatophenyl)Amino]-1,3,5-Triazin-2-Yl]Amino]-2,4,6-Trimethyl-5-Sulfonatophenyl]Amino]-9,10-Dioxo-2-Anthracenesulfonate; Trisodium 1-Amino-4-[[3-[[4-Chloro-6-[(4-Sulfonatophenyl)Amino]-S-Triazin-2-Yl]Amino]-2,4,6-Trimethyl-5-Sulfonato-Phenyl]Amino]-9,10-Diketo-Anthracene-2-Sulfonate
• Molecular Formula: C₃₂H₂₃ClN₇Na₃O₁₁S₃
• Molecular Weight: 882.18
• CAS Registry Number: 72927-93-6
• EINECS: 277-035-5
• SMILES: C1=C([S]([O-])(=O)=O)C(=C5C(=C1NC2=C(C(=C(C(=C2C)NC3=NC(=NC(=N3)NC4=CC=C([S]([O-])(=O)=O)C=C4)Cl)C)[S]([O-])(=O)=O)C)C(=O)C6=C(C5=O)C=CC=C6)N.[Na+].[Na+].[Na+]
• InChI: 1S/C32H26ClN7O11S3.3Na/c1-13-25(36-20-12-21(53(46,47)48)24(34)23-22(20)27(41)18-6-4-5-7-19(18)28(23)42)14(2)29(54(49,50)51)15(3)26(13)37-32-39-30(33)38-31(40-32)35-16-8-10-17(11-9-16)52(43,44)45;;;/h4-12,36H,34H2,1-3H3,(H,43,44,45)(H,46,47,48)(H,49,50,51)(H2,35,37,38,39,40);;;/q;3*+1/p-3
• InChIKey: TYYJEJVLHBJPIZ-UHFFFAOYSA-K