![2,7-Naphthalenedisulfonic acid, 5-hydroxy-4-[[4-[[1-hydroxy-6-(phenylamino)-3-sulfo-2-naphthalenyl]azo]-1-naphthalenyl]azo]-, trisodium salt](/api/spectrum/HWJSqjShSoA/structure.png?h=300&w=458 "2,7-Naphthalenedisulfonic acid, 5-hydroxy-4-[[4-[[1-hydroxy-6-(phenylamino)-3-sulfo-2-naphthalenyl]azo]-1-naphthalenyl]azo]-, trisodium salt")
| SpectraBase Compound ID | 3IsQN57IMel |
|---|---|
| InChI | InChI=1S/C36H25N5O11S3.3Na/c42-32-19-25(54(47,48)49)16-21-15-24(53(44,45)46)18-31(34(21)32)40-38-29-12-13-30(28-9-5-4-8-27(28)29)39-41-35-33(55(50,51)52)17-20-14-23(10-11-26(20)36(35)43)37-22-6-2-1-3-7-22;;;/h1-19,37,42-43H,(H,44,45,46)(H,47,48,49)(H,50,51,52);;;/q;3*+1/p-3/b40-38?,41-39-;;; |
| InChIKey | FDXIBQVXSGJHOQ-PJKSYTFYSA-K |
| Mol Weight | 865.74530785 g/mol |
| Molecular Formula | C36H22N5Na3O11S3 |
| Exact Mass | 865.017103 g/mol |
Transmission Infrared (IR) Spectrum
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| SpectraBase Spectrum ID | HWJSqjShSoA |
|---|---|
| Name | 2,7-Naphthalenedisulfonic acid, 5-hydroxy-4-[[4-[[1-hydroxy-6-(phenylamino)-3-sulfo-2-naphthalenyl]azo]-1-naphthalenyl]azo]-, trisodium salt |
| CAS Registry Number | 6483-67-6 |
| Copyright | Copyright © 1989, 1990-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved. |
| Formula | C36H22N5Na3O11S3 |
| InChI | InChI=1S/C36H25N5O11S3.3Na/c42-32-19-25(54(47,48)49)16-21-15-24(53(44,45)46)18-31(34(21)32)40-38-29-12-13-30(28-9-5-4-8-27(28)29)39-41-35-33(55(50,51)52)17-20-14-23(10-11-26(20)36(35)43)37-22-6-2-1-3-7-22;;;/h1-19,37,42-43H,(H,44,45,46)(H,47,48,49)(H,50,51,52);;;/q;3*+1/p-3/b40-38?,41-39-;;; |
| InChIKey | FDXIBQVXSGJHOQ-PJKSYTFYSA-K |
| Instrument Name | Bruker IFS 85 |
| Technique | KBr-Pellet |