sodium 4-hydroxy-5-[4-[[4-(2-hydroxyethylamino)-6-[[5-hydroxy-6-(2-methoxy-5-sulfo-phenyl)azo-7-sulfo-2-naphthyl]amino]-1,3,5-triazin-2-yl]amino]-5-methoxy-2-methyl-phenyl]azo-7-sulfo-naphthalene-2-sulfonate
[CAS# 94944-83-9]

Identification

• Name: sodium 4-hydroxy-5-[4-[[4-(2-hydroxyethylamino)-6-[[5-hydroxy-6-(2-methoxy-5-sulfo-phenyl)azo-7-sulfo-2-naphthyl]amino]-1,3,5-triazin-2-yl]amino]-5-methoxy-2-methyl-phenyl]azo-7-sulfo-naphthalene-2-sulfonate
• Synonyms: 2,7-Naphthalenedisulfonic acid, 4-hydroxy-5-[[4-[[4-[(2-hydroxyethyl)amino]-6-[[5-hydroxy-6-[(2-methoxy-5-sulfophenyl)azo]-7-sulfo-2-naphthalenyl]amino]-1,3,5-triazin-2-yl]amino]-5-methoxy-2-methylphenyl]azo]-, monosodium salt
• Molecular Formula: C₄₀H₃₅N₁₀NaO₁₇S₄
• Molecular Weight: 1079.01
• CAS Registry Number: 94944-83-9
• EINECS: 305-661-1
• SMILES: [Na+].[O-]S(=O)(=O)c1cc(O)c7c(c1)cc(cc7N=Nc2cc(OC)c(cc2C)Nc3nc(nc(NCCO)n3)Nc5cc6cc(c(N=Nc4cc(ccc4OC)S(O)(=O)=O)c(O)c6cc5)S(O)(=O)=O)S(O)(=O)=O
• InChI: 1S/C40H36N10O17S4.Na/c1-19-10-28(33(67-3)18-27(19)47-49-30-16-24(69(57,58)59)12-21-13-25(70(60,61)62)17-31(52)35(21)30)43-40-45-38(41-8-9-51)44-39(46-40)42-22-4-6-26-20(11-22)14-34(71(63,64)65)36(37(26)53)50-48-29-15-23(68(54,55)56)5-7-32(29)66-2;/h4-7,10-18,51-53H,8-9H2,1-3H3,(H,54,55,56)(H,57,58,59)(H,60,61,62)(H,63,64,65)(H3,41,42,43,44,45,46);/q;+1/p-1
• InChIKey: BGQLUASPGGDDJQ-UHFFFAOYSA-M