![1,6-Naphthalenedisulfonic acid, 8-hydroxy-7-[[4'-[[1-hydroxy-6-(phenylamino)-3-sulfo-2-naphthalenyl]azo]-3,3'-dimethoxy[1,1'-biphenyl]-4-yl]azo]-, trisodium salt](/api/spectrum/18wKWCoyDJN/structure.png?h=300&w=458 "1,6-Naphthalenedisulfonic acid, 8-hydroxy-7-[[4'-[[1-hydroxy-6-(phenylamino)-3-sulfo-2-naphthalenyl]azo]-3,3'-dimethoxy[1,1'-biphenyl]-4-yl]azo]-, trisodium salt")
| SpectraBase Compound ID | Ae0ldc15DDy |
|---|---|
| InChI | InChI=1S/C40H31N5O13S3.3Na/c1-57-31-18-22(11-15-29(31)42-44-37-35(61(54,55)56)21-25-17-27(13-14-28(25)39(37)46)41-26-8-4-3-5-9-26)23-12-16-30(32(19-23)58-2)43-45-38-34(60(51,52)53)20-24-7-6-10-33(59(48,49)50)36(24)40(38)47;;;/h3-21,41,46-47H,1-2H3,(H,48,49,50)(H,51,52,53)(H,54,55,56);;;/q;3*+1/p-3/b44-42+,45-43+;;; |
| InChIKey | IPLMDVUXIBTTFD-JVQXNHMDSA-K |
| Mol Weight | 951.83530785 g/mol |
| Molecular Formula | C40H28N5Na3O13S3 |
| Exact Mass | 951.053882 g/mol |
Transmission Infrared (IR) Spectrum
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| SpectraBase Spectrum ID | 18wKWCoyDJN |
|---|---|
| Name | 1,6-Naphthalenedisulfonic acid, 8-hydroxy-7-[[4'-[[1-hydroxy-6-(phenylamino)-3-sulfo-2-naphthalenyl]azo]-3,3'-dimethoxy[1,1'-biphenyl]-4-yl]azo]-, trisodium salt |
| CAS Registry Number | 6655-96-5 |
| Copyright | Copyright © 1989, 1990-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved. |
| Formula | C40H28N5Na3O13S3 |
| InChI | InChI=1S/C40H31N5O13S3.3Na/c1-57-31-18-22(11-15-29(31)42-44-37-35(61(54,55)56)21-25-17-27(13-14-28(25)39(37)46)41-26-8-4-3-5-9-26)23-12-16-30(32(19-23)58-2)43-45-38-34(60(51,52)53)20-24-7-6-10-33(59(48,49)50)36(24)40(38)47;;;/h3-21,41,46-47H,1-2H3,(H,48,49,50)(H,51,52,53)(H,54,55,56);;;/q;3*+1/p-3/b44-42+,45-43+;;; |
| InChIKey | IPLMDVUXIBTTFD-JVQXNHMDSA-K |
| Instrument Name | Bruker IFS 85 |
| Technique | KBr-Pellet |