2-[[4-Chloro-6-[[3-[[8-[[4-Chloro-6-(Methylphenylamino)-1,3,5-Triazin-2-Yl]Amino]-1-Hydroxy-3,6-Disulfo-2-Naphthalenyl]Azo]-4-Sulfophenyl]Amino]-1,3,5-Triazin-2-Yl]Amino]-5-Sulfo-Benzoic Acid Tetrasodium Salt
[CAS# 52246-55-6]

Identification

• Name: 2-[[4-Chloro-6-[[3-[[8-[[4-Chloro-6-(Methylphenylamino)-1,3,5-Triazin-2-Yl]Amino]-1-Hydroxy-3,6-Disulfo-2-Naphthalenyl]Azo]-4-Sulfophenyl]Amino]-1,3,5-Triazin-2-Yl]Amino]-5-Sulfo-Benzoic Acid Tetrasodium Salt
• Synonyms: Tetrasodium 2-[[4-Chloro-6-[[3-[(N'z)-N'-[8-[[4-Chloro-6-(Methyl-Phenylamino)-1,3,5-Triazin-2-Yl]Amino]-1-Oxo-3-Sulfo-6-Sulfonato-2-Naphthylidene]Hydrazino]-4-Sulfonatophenyl]Amino]-1,3,5-Triazin-2-Yl]Amino]-5-Sulfonatobenzoate; Tetrasodium 2-[[4-Chloro-6-[[3-[(N'z)-N'-[8-[[4-Chloro-6-(Methyl-Phenyl-Amino)-S-Triazin-2-Yl]Amino]-1-Keto-3-Sulfo-6-Sulfonato-2-Naphthylidene]Hydrazino]-4-Sulfonato-Phenyl]Amino]-S-Triazin-2-Yl]Amino]-5-Sulfonato-Benzoate; Tetrasodium 2-[[4-Chloro-6-[[3-[(N'z)-N'-[8-[[4-Chloro-6-(Methyl-Phenyl-Amino)-1,3,5-Triazin-2-Yl]Amino]-1-Oxo-3-Sulfo-6-Sulfonato-2-Naphthylidene]Hydrazino]-4-Sulfonato-Phenyl]Amino]-1,3,5-Triazin-2-Yl]Amino]-5-Sulfonato-Benzoate
• Molecular Formula: C₃₆H₂₂Cl₂N₁₂Na₄O₁₅S₄
• Molecular Weight: 1153.75
• CAS Registry Number: 52246-55-6
• EINECS: 257-784-4
• SMILES: C3=C([S]([O-])(=O)=O)C=C(NC1=NC(=NC(=N1)Cl)N(C2=CC=CC=C2)C)C7=C3C=C([S](O)(=O)=O)\C(=N/NC4=C([S]([O-])(=O)=O)C=CC(=C4)NC5=NC(=NC(=N5)Cl)NC6=C(C=C([S]([O-])(=O)=O)C=C6)C([O-])=O)C7=O.[Na+].[Na+].[Na+].[Na+]
• InChI: 1S/C36H26Cl2N12O15S4.4Na/c1-50(18-5-3-2-4-6-18)36-45-32(38)44-35(47-36)41-24-15-20(67(57,58)59)11-16-12-26(69(63,64)65)28(29(51)27(16)24)49-48-23-13-17(7-10-25(23)68(60,61)62)39-33-42-31(37)43-34(46-33)40-22-9-8-19(66(54,55)56)14-21(22)30(52)53;;;;/h2-15,48H,1H3,(H,52,53)(H,54,55,56)(H,57,58,59)(H,60,61,62)(H,63,64,65)(H,41,44,45,47)(H2,39,40,42,43,46);;;;/q;4*+1/p-4/b49-28+
• InChIKey: PBVKHWFVVSTTIR-JVWIFYNZSA-J