Trisodium 8-Amino-5-[[4-[[4-[(4,6-Dichloro-1,3,5-Triazin-2-Yl)Amino]-2-Sulphonatophenyl]Azo]Phenyl]Amino]-9,10-Dihydro-9,10-Dioxoanthracene-1,7-Disulphonate
[CAS# 70865-34-8]

Identification

• Name: Trisodium 8-Amino-5-[[4-[[4-[(4,6-Dichloro-1,3,5-Triazin-2-Yl)Amino]-2-Sulphonatophenyl]Azo]Phenyl]Amino]-9,10-Dihydro-9,10-Dioxoanthracene-1,7-Disulphonate
• Synonyms: Trisodium 8-Amino-5-[[4-[4-[(4,6-Dichloro-1,3,5-Triazin-2-Yl)Amino]-2-Sulfonato-Phenyl]Azophenyl]Amino]-9,10-Dioxo-Anthracene-1,7-Disulfonate; Trisodium 8-Amino-5-[[4-[4-[(4,6-Dichloro-1,3,5-Triazin-2-Yl)Amino]-2-Sulfonatophenyl]Azophenyl]Amino]-9,10-Dioxoanthracene-1,7-Disulfonate; Trisodium 8-Amino-5-[[4-[4-[(4,6-Dichloro-S-Triazin-2-Yl)Amino]-2-Sulfonato-Phenyl]Azophenyl]Amino]-9,10-Diketo-Anthracene-1,7-Disulfonate
• Molecular Formula: C₂₉H₁₅Cl₂N₈Na₃O₁₁S₃
• Molecular Weight: 887.54
• CAS Registry Number: 70865-34-8
• EINECS: 274-962-7
• SMILES: C6=C(NC3=CC=C(N=NC2=CC=C(NC1=NC(=NC(=N1)Cl)Cl)C=C2[S]([O-])(=O)=O)C=C3)C5=C(C(=O)C4=C([S]([O-])(=O)=O)C=CC=C4C5=O)C(=C6[S]([O-])(=O)=O)N.[Na+].[Na+].[Na+]
• InChI: 1S/C29H18Cl2N8O11S3.3Na/c30-27-35-28(31)37-29(36-27)34-14-8-9-16(19(10-14)52(45,46)47)39-38-13-6-4-12(5-7-13)33-17-11-20(53(48,49)50)24(32)23-22(17)25(40)15-2-1-3-18(51(42,43)44)21(15)26(23)41;;;/h1-11,33H,32H2,(H,42,43,44)(H,45,46,47)(H,48,49,50)(H,34,35,36,37);;;/q;3*+1/p-3
• InChIKey: JHPUALQQSSQIKL-UHFFFAOYSA-K