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5-Aminosalicylacid->1,7-cleveacid->1-naphthylamine->(alk)J=acid
SpectraBase Compound ID 3bvWzV7chY
InChI InChI=1S/C37H25N7O10S2.3Na/c38-20-5-8-23-19(15-20)16-34(56(52,53)54)35(36(23)46)44-43-30-11-10-29(24-3-1-2-4-25(24)30)41-42-32-13-12-31(26-9-7-22(18-27(26)32)55(49,50)51)40-39-21-6-14-33(45)28(17-21)37(47)48;;;/h1-18,45-46H,38H2,(H,47,48)(H,49,50,51)(H,52,53,54);;;/q;3*+1/p-3/b40-39+,42-41-,44-43?;;;
InChIKey PTELSJWAVIWPMR-ZQAFAESKSA-K
Mol Weight 857.71130785 g/mol
Molecular Formula C37H22N7Na3O10S2
Exact Mass 857.056265 g/mol
Parent InChIKey BQJXALLWSVRIIR-FMLSCLFJSA-K
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Technique KBr-Pellet
  • Benzoic acid, 5-[[4-[[4-[(6-amino-1-hydroxy-3-sulfo-2-naphthalenyl)azo]-1-naphthalenyl]azo]-6-sulfo-1-naphthalenyl]azo]-2-hydroxy-, trisodium salt
Unknown Identification

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