Trisodium 3-[[2-(Acetylamino)-4-[[4-Chloro-6-[(4-Sulphonatophenyl)Amino]-1,3,5-Triazin-2-Yl]Amino]Phenyl]Azo]Naphthalene-1,5-Disulphonate
[CAS# 94042-74-7]

Identification

• Name: Trisodium 3-[[2-(Acetylamino)-4-[[4-Chloro-6-[(4-Sulphonatophenyl)Amino]-1,3,5-Triazin-2-Yl]Amino]Phenyl]Azo]Naphthalene-1,5-Disulphonate
• Synonyms: Trisodium 3-[2-Acetamido-4-[[4-Chloro-6-[(4-Sulfonatophenyl)Amino]-1,3,5-Triazin-2-Yl]Amino]Phenyl]Azonaphthalene-1,5-Disulfonate; Trisodium 3-[2-Acetamido-4-[[4-Chloro-6-[(4-Sulfonatophenyl)Amino]-S-Triazin-2-Yl]Amino]Phenyl]Azonaphthalene-1,5-Disulfonate
• Molecular Formula: C₂₇H₁₈ClN₈Na₃O₁₀S₃
• Molecular Weight: 815.09
• CAS Registry Number: 94042-74-7
• EINECS: 301-739-4
• SMILES: C4=C(N=NC3=C(NC(=O)C)C=C(NC1=NC(=NC(=N1)Cl)NC2=CC=C([S]([O-])(=O)=O)C=C2)C=C3)C=C([S]([O-])(=O)=O)C5=C4C(=CC=C5)[S]([O-])(=O)=O.[Na+].[Na+].[Na+]
• InChI: 1S/C27H21ClN8O10S3.3Na/c1-14(37)29-22-12-16(31-27-33-25(28)32-26(34-27)30-15-5-8-18(9-6-15)47(38,39)40)7-10-21(22)36-35-17-11-20-19(24(13-17)49(44,45)46)3-2-4-23(20)48(41,42)43;;;/h2-13H,1H3,(H,29,37)(H,38,39,40)(H,41,42,43)(H,44,45,46)(H2,30,31,32,33,34)
• InChIKey: UYOWNJSHICAUHQ-UHFFFAOYSA-K