4-Amino-3,6-Bis[[5-[[4-Chloro- 6-[(2-Hydroxyethyl)Amino]-1,3,5-Triazin-2-Yl ]Amino]-2-Sulfophenyl]Azo]-5-Hydroxy-2,7-Naphthalenedisulfonic Acid Tetrasodium Salt
[CAS# 85665-98-1]

Identification

• Name: 4-Amino-3,6-Bis[[5-[[4-Chloro- 6-[(2-Hydroxyethyl)Amino]-1,3,5-Triazin-2-Yl ]Amino]-2-Sulfophenyl]Azo]-5-Hydroxy-2,7-Naphthalenedisulfonic Acid Tetrasodium Salt
• Synonyms: 2,7-Naphthalenedisulfonic acid, 4-amino-3,6-bis((5-((4-chloro-6-((2-hydroxyethyl)amino)-1,3,5-triazin-2-yl)amino)-2-sulfophenyl)azo)-5-hydroxy-, tetrasodium salt
• Molecular Formula: C₃₂H₂₅Cl₂N₁₅Na₄O₁₅S₄
• Molecular Weight: 1150.76
• CAS Registry Number: 85665-98-1
• SMILES: [Na+].[Na+].[Na+].[Na+].Clc1nc(nc(n1)NCCO)Nc6ccc(c(N/N=C5\C(=C/c4cc(c(/N=N/c3cc(Nc2nc(nc(Cl)n2)NCCO)ccc3S([O-])(=O)=O)c(N)c4C5=O)S([O-])(=O)=O)S([O-])(=O)=O)c6)S([O-])(=O)=O
• InChI: 1S/C32H29Cl2N15O15S4.4Na/c33-27-40-29(36-5-7-50)44-31(42-27)38-14-1-3-18(65(53,54)55)16(11-14)46-48-24-20(67(59,60)61)9-13-10-21(68(62,63)64)25(26(52)22(13)23(24)35)49-47-17-12-15(2-4-19(17)66(56,57)58)39-32-43-28(34)41-30(45-32)37-6-8-51;;;;/h1-4,9-12,47,50-51H,5-8,35H2,(H,53,54,55)(H,56,57,58)(H,59,60,61)(H,62,63,64)(H2,36,38,40,42,44)(H2,37,39,41,43,45);;;;/q;4*+1/p-4/b48-46+,49-25+
• InChIKey: ZSMOSDHOZAOTJT-FLBGRVAKSA-J