![2,7-Naphthalenedisulfonic acid, 4,5-dihydroxy-3-[[4'-[(1-hydroxy-4-sulfo-2-naphthalenyl)azo]-3,3'-dimethyl[1,1'-biphenyl]-4-yl]azo]-, trisodium salt](/api/spectrum/B7TnAZKDY9z/structure.png?h=300&w=458 "2,7-Naphthalenedisulfonic acid, 4,5-dihydroxy-3-[[4'-[(1-hydroxy-4-sulfo-2-naphthalenyl)azo]-3,3'-dimethyl[1,1'-biphenyl]-4-yl]azo]-, trisodium salt")
| SpectraBase Compound ID | 9tfRWstowrG |
|---|---|
| InChI | InChI=1S/C34H26N4O12S3.3Na/c1-17-11-19(7-9-25(17)35-37-27-16-29(52(45,46)47)23-5-3-4-6-24(23)33(27)40)20-8-10-26(18(2)12-20)36-38-32-30(53(48,49)50)14-21-13-22(51(42,43)44)15-28(39)31(21)34(32)41;;;/h3-16,39-41H,1-2H3,(H,42,43,44)(H,45,46,47)(H,48,49,50);;;/q;3*+1/p-3/b37-35+,38-36+;;; |
| InChIKey | QGYWSPFTRKORPY-BOXWNSCSSA-K |
| Mol Weight | 844.72330785 g/mol |
| Molecular Formula | C34H23N4Na3O12S3 |
| Exact Mass | 844.016769 g/mol |
Transmission Infrared (IR) Spectrum
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| SpectraBase Spectrum ID | B7TnAZKDY9z |
|---|---|
| Name | 2,7-Naphthalenedisulfonic acid, 4,5-dihydroxy-3-[[4'-[(1-hydroxy-4-sulfo-2-naphthalenyl)azo]-3,3'-dimethyl[1,1'-biphenyl]-4-yl]azo]-, trisodium salt |
| CAS Registry Number | 5442-09-1 |
| Copyright | Copyright © 1989, 1990-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved. |
| Formula | C34H23N4Na3O12S3 |
| InChI | InChI=1S/C34H26N4O12S3.3Na/c1-17-11-19(7-9-25(17)35-37-27-16-29(52(45,46)47)23-5-3-4-6-24(23)33(27)40)20-8-10-26(18(2)12-20)36-38-32-30(53(48,49)50)14-21-13-22(51(42,43)44)15-28(39)31(21)34(32)41;;;/h3-16,39-41H,1-2H3,(H,42,43,44)(H,45,46,47)(H,48,49,50);;;/q;3*+1/p-3/b37-35+,38-36+;;; |
| InChIKey | QGYWSPFTRKORPY-BOXWNSCSSA-K |
| Instrument Name | Bruker IFS 85 |
| Technique | KBr-Pellet |