SpectraBase Compound ID | 9UIZnosEwyy |
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InChI | InChI=1S/C36H27N7O6S.2Na/c1-21-18-26(10-14-32(21)37)41-42-33-15-16-34(30-20-28(50(47,48)49)12-13-29(30)33)43-39-25-8-4-23(5-9-25)22-2-6-24(7-3-22)38-40-27-11-17-35(44)31(19-27)36(45)46;;/h2-20,44H,37H2,1H3,(H,45,46)(H,47,48,49);;/q;2*+1/p-2/b40-38+,42-41?,43-39+;; |
InChIKey | JTCXJLGSZZXLMO-DWKPUFRZSA-L |
Mol Weight | 729.67853856 g/mol |
Molecular Formula | C36H25N7Na2O6S |
Exact Mass | 729.138241 g/mol |
SpectraBase Spectrum ID | 5qFn4ti1P0E |
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Name | Benzoic acid, 5-[[4'-[[4-[(4-amino-3-methylphenyl)azo]-7-sulfo-1-naphthalenyl]azo][1,1'-biphenyl]-4-yl]azo]-2-hydroxy-, disodium sal |
CAS Registry Number | 6656-06-0 |
Copyright | Copyright © 1989, 1990-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved. |
Formula | C36H25N7Na2O6S |
InChI | InChI=1S/C36H27N7O6S.2Na/c1-21-18-26(10-14-32(21)37)41-42-33-15-16-34(30-20-28(50(47,48)49)12-13-29(30)33)43-39-25-8-4-23(5-9-25)22-2-6-24(7-3-22)38-40-27-11-17-35(44)31(19-27)36(45)46;;/h2-20,44H,37H2,1H3,(H,45,46)(H,47,48,49);;/q;2*+1/p-2/b40-38+,42-41?,43-39+;; |
InChIKey | JTCXJLGSZZXLMO-DWKPUFRZSA-L |
Instrument Name | Bruker IFS 85 |
Synonyms | Salicylacid(1)[-benzidin-](2)1,6-cleveacid->(3)o-toluidin |
Technique | KBr-Pellet |