![1-Naphthalenesulfonic acid, 4-[[1-hydroxy-6-[[[[5-hydroxy-6-[(2-methoxyphenyl)azo]-7-sulfo-2-naphthalenyl]amino]carbonyl]amino]-3-sulfo-2-naphthalenyl]azo]-, trisodium salt](/api/spectrum/KjKJlEdyEBo/structure.png?h=300&w=458 "1-Naphthalenesulfonic acid, 4-[[1-hydroxy-6-[[[[5-hydroxy-6-[(2-methoxyphenyl)azo]-7-sulfo-2-naphthalenyl]amino]carbonyl]amino]-3-sulfo-2-naphthalenyl]azo]-, trisodium salt")
| SpectraBase Compound ID | H6lJ4mVh8gL |
|---|---|
| InChI | InChI=1S/C38H28N6O13S3.3Na/c1-57-30-9-5-4-8-29(30)42-44-35-33(60(54,55)56)19-21-17-23(11-13-25(21)37(35)46)40-38(47)39-22-10-12-24-20(16-22)18-32(59(51,52)53)34(36(24)45)43-41-28-14-15-31(58(48,49)50)27-7-3-2-6-26(27)28;;;/h2-19,45-46H,1H3,(H2,39,40,47)(H,48,49,50)(H,51,52,53)(H,54,55,56);;;/q;3*+1/p-3/b43-41+,44-42+;;; |
| InChIKey | NZDSGDCNEHVEEX-NHBKGLTJSA-K |
| Mol Weight | 938.79630785 g/mol |
| Molecular Formula | C38H25N6Na3O13S3 |
| Exact Mass | 938.033481 g/mol |
Transmission Infrared (IR) Spectrum
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| SpectraBase Spectrum ID | KjKJlEdyEBo |
|---|---|
| Name | 1-Naphthalenesulfonic acid, 4-[[1-hydroxy-6-[[[[5-hydroxy-6-[(2-methoxyphenyl)azo]-7-sulfo-2-naphthalenyl]amino]carbonyl]amino]-3-sulfo-2-naphthalenyl]azo]-, trisodium salt |
| CAS Registry Number | 3687-80-7 |
| Copyright | Copyright © 1989, 1990-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved. |
| Formula | C38H25N6Na3O13S3 |
| InChI | InChI=1S/C38H28N6O13S3.3Na/c1-57-30-9-5-4-8-29(30)42-44-35-33(60(54,55)56)19-21-17-23(11-13-25(21)37(35)46)40-38(47)39-22-10-12-24-20(16-22)18-32(59(51,52)53)34(36(24)45)43-41-28-14-15-31(58(48,49)50)27-7-3-2-6-26(27)28;;;/h2-19,45-46H,1H3,(H2,39,40,47)(H,48,49,50)(H,51,52,53)(H,54,55,56);;;/q;3*+1/p-3/b43-41+,44-42+;;; |
| InChIKey | NZDSGDCNEHVEEX-NHBKGLTJSA-K |
| Instrument Name | Bruker IFS 85 |
| Technique | KBr-Pellet |