![Benzoic acid, 5-[[4'-[[8-[(2,4-diaminophenyl)azo]-1-hydroxy-3,6-disulfo-2-naphthalenyl]azo][1,1'-biphenyl]-4-yl]azo]-2-hydroxy-, trisodium salt](/api/spectrum/HBBaVAl06Tn/structure.png?h=300&w=458 "Benzoic acid, 5-[[4'-[[8-[(2,4-diaminophenyl)azo]-1-hydroxy-3,6-disulfo-2-naphthalenyl]azo][1,1'-biphenyl]-4-yl]azo]-2-hydroxy-, trisodium salt")
| SpectraBase Compound ID | IE9AxL8bsYl |
|---|---|
| InChI | InChI=1S/C35H26N8O10S2.3Na/c36-21-5-11-28(27(37)15-21)41-42-29-17-25(54(48,49)50)13-20-14-31(55(51,52)53)33(34(45)32(20)29)43-39-23-8-3-19(4-9-23)18-1-6-22(7-2-18)38-40-24-10-12-30(44)26(16-24)35(46)47;;;/h1-17,44-45H,36-37H2,(H,46,47)(H,48,49,50)(H,51,52,53);;;/q;3*+1/p-3/b40-38+,42-41-,43-39?;;; |
| InChIKey | WWZAZAQRDIPCHJ-OXFACALUSA-K |
| Mol Weight | 848.70430785 g/mol |
| Molecular Formula | C35H23N8Na3O10S2 |
| Exact Mass | 848.067164 g/mol |
Transmission Infrared (IR) Spectrum
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| SpectraBase Spectrum ID | HBBaVAl06Tn |
|---|---|
| Name | Benzoic acid, 5-[[4'-[[8-[(2,4-diaminophenyl)azo]-1-hydroxy-3,6-disulfo-2-naphthalenyl]azo][1,1'-biphenyl]-4-yl]azo]-2-hydroxy-, trisodium salt |
| CAS Registry Number | 4623-91-0 |
| Copyright | Copyright © 1989, 1990-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved. |
| Formula | C35H23N8Na3O10S2 |
| InChI | InChI=1S/C35H26N8O10S2.3Na/c36-21-5-11-28(27(37)15-21)41-42-29-17-25(54(48,49)50)13-20-14-31(55(51,52)53)33(34(45)32(20)29)43-39-23-8-3-19(4-9-23)18-1-6-22(7-2-18)38-40-24-10-12-30(44)26(16-24)35(46)47;;;/h1-17,44-45H,36-37H2,(H,46,47)(H,48,49,50)(H,51,52,53);;;/q;3*+1/p-3/b40-38+,42-41-,43-39?;;; |
| InChIKey | WWZAZAQRDIPCHJ-OXFACALUSA-K |
| Instrument Name | Bruker IFS 85 |
| Technique | KBr-Pellet |