![Benzoic acid, 3-[[1-hydroxy-6-[[[[5-hydroxy-6-[(2-methylphenyl)azo]-7-sulfo-2-naphthalenyl]amino]carbonyl]amino]-3-[(2-methyl-4-sulfophenyl)azo]-, trisodium salt](/api/spectrum/4mD4238G477/structure.png?h=300&w=458 "Benzoic acid, 3-[[1-hydroxy-6-[[[[5-hydroxy-6-[(2-methylphenyl)azo]-7-sulfo-2-naphthalenyl]amino]carbonyl]amino]-3-[(2-methyl-4-sulfophenyl)azo]-, trisodium salt")
| SpectraBase Compound ID | 50qvhs50hLY |
|---|---|
| InChI | InChI=1S/C35H26N6O12S2.3Na/c1-53-27-8-3-2-7-26(27)39-41-31-29(55(50,51)52)17-20-15-22(10-12-25(20)33(31)43)37-35(46)36-21-9-11-24-19(14-21)16-28(54(47,48)49)30(32(24)42)40-38-23-6-4-5-18(13-23)34(44)45;;;/h2-17,42-43H,1H3,(H,44,45)(H2,36,37,46)(H,47,48,49)(H,50,51,52);;;/q;3*+1/p-3/b40-38+,41-39+;;; |
| InChIKey | OJTIKAGJURFFRY-WXMKCTNMSA-K |
| Mol Weight | 852.68830785 g/mol |
| Molecular Formula | C35H23N6Na3O12S2 |
| Exact Mass | 852.050845 g/mol |
Transmission Infrared (IR) Spectrum
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| SpectraBase Spectrum ID | 4mD4238G477 |
|---|---|
| Name | Benzoic acid, 3-[[1-hydroxy-6-[[[[5-hydroxy-6-[(2-methylphenyl)azo]-7-sulfo-2-naphthalenyl]amino]carbonyl]amino]-3-[(2-methyl-4-sulfophenyl)azo]-, trisodium salt |
| CAS Registry Number | 6420-42-4 |
| Copyright | Copyright © 1989, 1990-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved. |
| Formula | C35H23N6Na3O12S2 |
| InChI | InChI=1S/C35H26N6O12S2.3Na/c1-53-27-8-3-2-7-26(27)39-41-31-29(55(50,51)52)17-20-15-22(10-12-25(20)33(31)43)37-35(46)36-21-9-11-24-19(14-21)16-28(54(47,48)49)30(32(24)42)40-38-23-6-4-5-18(13-23)34(44)45;;;/h2-17,42-43H,1H3,(H,44,45)(H2,36,37,46)(H,47,48,49)(H,50,51,52);;;/q;3*+1/p-3/b40-38+,41-39+;;; |
| InChIKey | OJTIKAGJURFFRY-WXMKCTNMSA-K |
| Instrument Name | Bruker IFS 85 |
| Synonyms | m-Aminobenzoeacid(1)(ac)->6,6'-ureylenbis-1-naphthol-3-sulfonic acid<-(alk)(2)o-anisidine |
| Technique | KBr-Pellet |