5-[[4-Chloro-6-[[3-[[4-Chloro-6-(1-Methylethoxy)-1,3,5-Triazin-2-Yl]Amino]-4-Sulfophenyl]Amino]-1,3,5-Triazin-2-Yl]Amino]-4-Hydroxy-3-[(4-Methyl-2-Sulfophenyl)Azo]-2,7-Naphthalenedisulfonic Acid Tetrasodium Salt
[CAS# 67827-65-0]

Identification

• Name: 5-[[4-Chloro-6-[[3-[[4-Chloro-6-(1-Methylethoxy)-1,3,5-Triazin-2-Yl]Amino]-4-Sulfophenyl]Amino]-1,3,5-Triazin-2-Yl]Amino]-4-Hydroxy-3-[(4-Methyl-2-Sulfophenyl)Azo]-2,7-Naphthalenedisulfonic Acid Tetrasodium Salt
• Synonyms: Tetrasodium (3Z)-5-[[4-Chloro-6-[[3-[(4-Chloro-6-Isopropyl-1,3,5-Triazin-2-Yl)Amino]-4-Sulfonato-Phenyl]Amino]-1,3,5-Triazin-2-Yl]Amino]-3-[(4-Methyl-2-Sulfonato-Phenyl)Hydrazono]-4-Oxo-Naphthalene-2,7-Disulfonate; Tetrasodium (3Z)-5-[[4-Chloro-6-[[3-[(4-Chloro-6-Isopropyl-1,3,5-Triazin-2-Yl)Amino]-4-Sulfonatophenyl]Amino]-1,3,5-Triazin-2-Yl]Amino]-3-[(4-Methyl-2-Sulfonatophenyl)Hydrazono]-4-Oxonaphthalene-2,7-Disulfonate; Tetrasodium (3Z)-5-[[4-Chloro-6-[[3-[(4-Chloro-6-Isopropyl-S-Triazin-2-Yl)Amino]-4-Sulfonato-Phenyl]Amino]-S-Triazin-2-Yl]Amino]-4-Keto-3-[(4-Methyl-2-Sulfonato-Phenyl)Hydrazono]Naphthalene-2,7-Disulfonate
• Molecular Formula: C₃₂H₂₃Cl₂N₁₁Na₄O₁₃S₄
• Molecular Weight: 1060.70
• CAS Registry Number: 67827-65-0
• EINECS: 267-229-8
• SMILES: C4=C([S]([O-])(=O)=O)C=C(NC1=NC(=NC(=N1)NC2=CC(=C([S]([O-])(=O)=O)C=C2)NC3=NC(=NC(=N3)C(C)C)Cl)Cl)C6=C4C=C([S]([O-])(=O)=O)\C(=N/NC5=C([S]([O-])(=O)=O)C=C(C=C5)C)C6=O.[Na+].[Na+].[Na+].[Na+]
• InChI: 1S/C32H27Cl2N11O13S4.4Na/c1-13(2)27-38-28(33)40-31(39-27)36-19-11-16(5-7-21(19)60(50,51)52)35-30-41-29(34)42-32(43-30)37-20-12-17(59(47,48)49)9-15-10-23(62(56,57)58)25(26(46)24(15)20)45-44-18-6-4-14(3)8-22(18)61(53,54)55;;;;/h4-13,44H,1-3H3,(H,47,48,49)(H,50,51,52)(H,53,54,55)(H,56,57,58)(H,36,38,39,40)(H2,35,37,41,42,43);;;;/q;4*+1/p-4/b45-25+
• InChIKey: KJEHQDPIDFRAII-UHDZYSLWSA-J