Trisodium 1-Amino-4-[[4-[[4-Chloro-6-[(2-Sulphonatophenyl)Amino]-1,3,5-Triazin-2-Yl]Amino]-3-Sulphonatophenyl]Amino]-9,10-Dihydro-9,10-Dioxoanthracene-2-Sulphonate
[CAS# 70161-13-6]

Identification

• Name: Trisodium 1-Amino-4-[[4-[[4-Chloro-6-[(2-Sulphonatophenyl)Amino]-1,3,5-Triazin-2-Yl]Amino]-3-Sulphonatophenyl]Amino]-9,10-Dihydro-9,10-Dioxoanthracene-2-Sulphonate
• Synonyms: Trisodium 1-Amino-4-[[4-[[4-Chloro-6-[(2-Sulfonatophenyl)Amino]-1,3,5-Triazin-2-Yl]Amino]-3-Sulfonato-Phenyl]Amino]-9,10-Dioxo-Anthracene-2-Sulfonate; Trisodium 1-Amino-4-[[4-[[4-Chloro-6-[(2-Sulfonatophenyl)Amino]-1,3,5-Triazin-2-Yl]Amino]-3-Sulfonatophenyl]Amino]-9,10-Dioxo-2-Anthracenesulfonate; Trisodium 1-Amino-4-[[4-[[4-Chloro-6-[(2-Sulfonatophenyl)Amino]-S-Triazin-2-Yl]Amino]-3-Sulfonato-Phenyl]Amino]-9,10-Diketo-Anthracene-2-Sulfonate
• Molecular Formula: C₂₉H₁₇ClN₇Na₃O₁₁S₃
• Molecular Weight: 840.10
• CAS Registry Number: 70161-13-6 (29225-66-9)
• EINECS: 274-348-9
• SMILES: C1=CC=CC3=C1C(=O)C2=C(C(=CC(=C2C3=O)NC4=CC=C(C(=C4)[S]([O-])(=O)=O)NC5=NC(=NC(=N5)Cl)NC6=C([S]([O-])(=O)=O)C=CC=C6)[S]([O-])(=O)=O)N.[Na+].[Na+].[Na+]
• InChI: 1S/C29H20ClN7O11S3.3Na/c30-27-35-28(33-16-7-3-4-8-19(16)49(40,41)42)37-29(36-27)34-17-10-9-13(11-20(17)50(43,44)45)32-18-12-21(51(46,47)48)24(31)23-22(18)25(38)14-5-1-2-6-15(14)26(23)39;;;/h1-12,32H,31H2,(H,40,41,42)(H,43,44,45)(H,46,47,48)(H2,33,34,35,36,37);;;/q;3*+1/p-3
• InChIKey: KIRKGWILHWJIMS-UHFFFAOYSA-K