Trisodium 5-acetamido-4-hydroxy-3-({4-[(3-{[2-(sulfonatooxy)ethyl]sulfonyl}phenyl)carbamoyl]phenyl}diazenyl)-2,7-naphthalenedisulfonate
[CAS# 80419-51-8]

Identification

• Name: Trisodium 5-acetamido-4-hydroxy-3-({4-[(3-{[2-(sulfonatooxy)ethyl]sulfonyl}phenyl)carbamoyl]phenyl}diazenyl)-2,7-naphthalenedisulfonate
• Synonyms: trisodium 5-(acetylamino)-4-hydroxy-3-[[4-[[[3-[[2-(sulphonatooxy)ethyl]sulphonyl]phenyl]amino]carbonyl]phenyl]azo]naphthalene-2,7-disulphonate
• Molecular Formula: C₂₇H₂₁N₄Na₃O₁₅S₄
• Molecular Weight: 838.70
• CAS Registry Number: 80419-51-8
• EINECS: 279-463-8
• SMILES: [Na+].[Na+].[Na+].[O-]S(=O)(=O)OCCS(=O)(=O)c1cccc(c1)NC(=O)c2ccc(cc2)N=Nc4c(cc3cc(cc(NC(C)=O)c3c4O)S([O-])(=O)=O)S([O-])(=O)=O
• InChI: 1S/C27H24N4O15S4.3Na/c1-15(32)28-22-14-21(48(37,38)39)11-17-12-23(49(40,41)42)25(26(33)24(17)22)31-30-18-7-5-16(6-8-18)27(34)29-19-3-2-4-20(13-19)47(35,36)10-9-46-50(43,44)45;;;/h2-8,11-14,33H,9-10H2,1H3,(H,28,32)(H,29,34)(H,37,38,39)(H,40,41,42)(H,43,44,45);;;/q;3*+1/p-3
• InChIKey: DPEUGRLBPCIGMU-UHFFFAOYSA-K