Pentasodium 5-({4-[bis(2-hydroxyethyl)amino]-6-({5-hydroxy-6-[(4-methoxy-2-sulfonatophenyl)diazenyl]-7-sulfonato-2-naphthyl}amino)-1,3,5-triazin-2-yl}amino)-4-hydroxy-3-[(2-sulfonatophenyl)diazenyl]-2 ,7-naphthalenedisulfonate
[CAS# 82457-21-4]

Identification

• Name: Pentasodium 5-({4-[bis(2-hydroxyethyl)amino]-6-({5-hydroxy-6-[(4-methoxy-2-sulfonatophenyl)diazenyl]-7-sulfonato-2-naphthyl}amino)-1,3,5-triazin-2-yl}amino)-4-hydroxy-3-[(2-sulfonatophenyl)diazenyl]-2 ,7-naphthalenedisulfonate
• Synonyms: 2,7-Naphthalenedisulfonic acid, 5-[[4-[bis(2-hydroxyethyl)amino]-6-[[5-hydroxy-6-[(4-methoxy-2-sulfophenyl)azo]-7-sulfo-2-naphthalenyl]amino]-1,3,5-triazin-2-yl]amino]-4-hydroxy-3-[(2-sulfophenyl)azo]-, pentasodium salt
• Molecular Formula: C₄₀H₃₁N₁₀Na₅O₂₀S₅
• Molecular Weight: 1247.00
• CAS Registry Number: 82457-21-4
• EINECS: 279-964-1
• SMILES: [Na+].[Na+].[Na+].[Na+].[Na+].[O-]S(=O)(=O)c7cc(OC)ccc7N=Nc2c(cc1cc(ccc1c2O)Nc3nc(nc(n3)N(CCO)CCO)Nc6cc(cc5cc(c(N=Nc4ccccc4S([O-])(=O)=O)c(O)c56)S([O-])(=O)=O)S([O-])(=O)=O)S([O-])(=O)=O
• InChI: 1S/C40H36N10O20S5.5Na/c1-70-23-7-9-27(30(18-23)73(61,62)63)47-48-34-31(74(64,65)66)16-20-14-22(6-8-25(20)36(34)53)41-38-43-39(45-40(44-38)50(10-12-51)11-13-52)42-28-19-24(71(55,56)57)15-21-17-32(75(67,68)69)35(37(54)33(21)28)49-46-26-4-2-3-5-29(26)72(58,59)60;;;;;/h2-9,14-19,51-54H,10-13H2,1H3,(H,55,56,57)(H,58,59,60)(H,61,62,63)(H,64,65,66)(H,67,68,69)(H2,41,42,43,44,45);;;;;/q;5*+1/p-5
• InChIKey: KBRZPIPSKMUDCR-UHFFFAOYSA-I