Tetrasodium 7-[[2-[(Aminocarbonyl)Amino]-4-[[4-Chloro-6-[[3-[[2-(Sulphonatooxy)Ethyl]Sulphonyl]Phenyl]Amino]-1,3,5-Triazin-2-Yl]Amino]Phenyl]Azo]Naphthalene-1,3,6-Trisulphonate
[CAS# 80157-00-2]

Identification

• Name: Tetrasodium 7-[[2-[(Aminocarbonyl)Amino]-4-[[4-Chloro-6-[[3-[[2-(Sulphonatooxy)Ethyl]Sulphonyl]Phenyl]Amino]-1,3,5-Triazin-2-Yl]Amino]Phenyl]Azo]Naphthalene-1,3,6-Trisulphonate
• Synonyms: Tetrasodium 7-[4-[[4-Chloro-6-[[3-(2-Sulfonatooxyethylsulfonyl)Phenyl]Amino]-1,3,5-Triazin-2-Yl]Amino]-2-Ureido-Phenyl]Azonaphthalene-1,3,6-Trisulfonate; Tetrasodium 7-[4-[[4-Chloro-6-[[3-(2-Sulfonatooxyethylsulfonyl)Phenyl]Amino]-1,3,5-Triazin-2-Yl]Amino]-2-Ureidophenyl]Azonaphthalene-1,3,6-Trisulfonate; Tetrasodium 7-[4-[[4-Chloro-6-[[3-(2-Sulfatoethylsulfonyl)Phenyl]Amino]-S-Triazin-2-Yl]Amino]-2-Ureido-Phenyl]Azonaphthalene-1,3,6-Trisulfonate
• Molecular Formula: C₂₈H₂₀ClN₉Na₄O₁₆S₅
• Molecular Weight: 1026.23
• CAS Registry Number: 80157-00-2
• EINECS: 279-408-8
• SMILES: C4=C(N=NC3=CC=C(NC1=NC(=NC(=N1)NC2=CC=CC(=C2)[S](=O)(=O)CCO[S]([O-])(=O)=O)Cl)C=C3NC(=O)N)C(=CC5=CC(=CC(=C45)[S]([O-])(=O)=O)[S]([O-])(=O)=O)[S]([O-])(=O)=O.[Na+].[Na+].[Na+].[Na+]
• InChI: 1S/C28H24ClN9O16S5.4Na/c29-25-34-27(31-15-2-1-3-17(10-15)55(40,41)7-6-54-59(51,52)53)36-28(35-25)32-16-4-5-20(21(11-16)33-26(30)39)37-38-22-13-19-14(9-24(22)58(48,49)50)8-18(56(42,43)44)12-23(19)57(45,46)47;;;;/h1-5,8-13H,6-7H2,(H3,30,33,39)(H,42,43,44)(H,45,46,47)(H,48,49,50)(H,51,52,53)(H2,31,32,34,35,36);;;;/q;4*+1/p-4
• InChIKey: UIEBGVDTKLYGTN-UHFFFAOYSA-J