Tetrasodium 3-[[5-[[4-Chloro-6-[[3-[[2-(Sulphonatooxy)Ethyl]Sulphonyl]Phenyl]Amino]-1,3,5-Triazin-2-Yl]Amino]-2-Sulphonatophenyl]Azo]-4-Hydroxy-5-[(1-Oxopropyl)Amino]Naphthalene-2,7-Disulphonate
[CAS# 80019-42-7]

Identification

• Name: Tetrasodium 3-[[5-[[4-Chloro-6-[[3-[[2-(Sulphonatooxy)Ethyl]Sulphonyl]Phenyl]Amino]-1,3,5-Triazin-2-Yl]Amino]-2-Sulphonatophenyl]Azo]-4-Hydroxy-5-[(1-Oxopropyl)Amino]Naphthalene-2,7-Disulphonate
• Synonyms: Tetrasodium (3Z)-3-[[5-[[4-Chloro-6-[[3-(2-Sulfonatooxyethylsulfonyl)Phenyl]Amino]-1,3,5-Triazin-2-Yl]Amino]-2-Sulfonato-Phenyl]Hydrazono]-4-Oxo-5-(Propanoylamino)Naphthalene-2,7-Disulfonate; Tetrasodium (3Z)-3-[[5-[[4-Chloro-6-[[3-(2-Sulfonatooxyethylsulfonyl)Phenyl]Amino]-1,3,5-Triazin-2-Yl]Amino]-2-Sulfonatophenyl]Hydrazono]-4-Oxo-5-(1-Oxopropylamino)Naphthalene-2,7-Disulfonate; Tetrasodium (3Z)-3-[[5-[[4-Chloro-6-[[3-(2-Sulfatoethylsulfonyl)Phenyl]Amino]-S-Triazin-2-Yl]Amino]-2-Sulfonato-Phenyl]Hydrazono]-4-Keto-5-Propionamido-Naphthalene-2,7-Disulfonate
• Molecular Formula: C₃₀H₂₃ClN₈Na₄O₁₇S₅
• Molecular Weight: 1055.27
• CAS Registry Number: 80019-42-7
• EINECS: 279-368-1
• SMILES: C1=C([S]([O-])(=O)=O)C=C(NC(=O)CC)C5=C1C=C([S]([O-])(=O)=O)\C(=N/NC2=C([S]([O-])(=O)=O)C=CC(=C2)NC3=NC(=NC(=N3)NC4=CC(=CC=C4)[S](=O)(=O)CCO[S]([O-])(=O)=O)Cl)C5=O.[Na+].[Na+].[Na+].[Na+]
• InChI: 1S/C30H27ClN8O17S5.4Na/c1-2-24(40)34-21-14-19(58(44,45)46)10-15-11-23(60(50,51)52)26(27(41)25(15)21)39-38-20-13-17(6-7-22(20)59(47,48)49)33-30-36-28(31)35-29(37-30)32-16-4-3-5-18(12-16)57(42,43)9-8-56-61(53,54)55;;;;/h3-7,10-14,38H,2,8-9H2,1H3,(H,34,40)(H,44,45,46)(H,47,48,49)(H,50,51,52)(H,53,54,55)(H2,32,33,35,36,37);;;;/q;4*+1/p-4/b39-26+
• InChIKey: WXPZOQBWICNDMZ-REVYUYIHSA-J