![Trisodium 4-[(E)-(1-hydroxy-6-{[({5-hydroxy-6-[(E)-phenyldiazenyl]-7-sulfonato-2-naphthyl}amino)carbonyl]amino}-3-sulfonato-2-naphthyl)diazenyl]benzoate](/api/spectrum/7Kp0yfdG9KY/structure.png?h=300&w=458 "Trisodium 4-[(E)-(1-hydroxy-6-{[({5-hydroxy-6-[(E)-phenyldiazenyl]-7-sulfonato-2-naphthyl}amino)carbonyl]amino}-3-sulfonato-2-naphthyl)diazenyl]benzoate")
| SpectraBase Compound ID | CoE0wHPyIV1 |
|---|---|
| InChI | InChI=1S/C34H24N6O11S2.3Na/c41-31-25-12-10-23(14-19(25)16-27(52(46,47)48)29(31)39-37-21-4-2-1-3-5-21)35-34(45)36-24-11-13-26-20(15-24)17-28(53(49,50)51)30(32(26)42)40-38-22-8-6-18(7-9-22)33(43)44;;;/h1-17,41-42H,(H,43,44)(H2,35,36,45)(H,46,47,48)(H,49,50,51);;;/q;3*+1/p-3/b39-37+,40-38+;;; |
| InChIKey | NEXGZHJENSOMLV-WFQXTUNASA-K |
| Mol Weight | 822.66230785 g/mol |
| Molecular Formula | C34H21N6Na3O11S2 |
| Exact Mass | 822.040281 g/mol |
Attenuated Total Reflectance Infrared (ATR-IR) Spectrum
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| SpectraBase Spectrum ID | 7Kp0yfdG9KY |
|---|---|
| Name | Trisodium 4-[(E)-(1-hydroxy-6-{[({5-hydroxy-6-[(E)-phenyldiazenyl]-7-sulfonato-2-naphthyl}amino)carbonyl]amino}-3-sulfonato-2-naphthyl)diazenyl]benzoate |
| Source of Sample | Sigma-Aldrich Company Llc. |
| Catalog Number | C9519 |
| Lot Number | 113H0563 |
| CAS Registry Number | 6598-63-6 |
| Copyright | Copyright © 2014-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C34H21N6Na3O11S2 |
| InChI | InChI=1S/C34H24N6O11S2.3Na/c41-31-25-12-10-23(14-19(25)16-27(52(46,47)48)29(31)39-37-21-4-2-1-3-5-21)35-34(45)36-24-11-13-26-20(15-24)17-28(53(49,50)51)30(32(26)42)40-38-22-8-6-18(7-9-22)33(43)44;;;/h1-17,41-42H,(H,43,44)(H2,35,36,45)(H,46,47,48)(H,49,50,51);;;/q;3*+1/p-3/b39-37+,40-38+;;; |
| InChIKey | NEXGZHJENSOMLV-WFQXTUNASA-K |
| Instrument Name | Bruker Tensor 27 FT-IR |
| Physical State | Solid |
| Sample Comments | Dye content, ~40% |
| Sample Type | Organic |
| Source of Spectrum | Bio-Rad Laboratories, Inc. |
| Synonyms | Calcomine Orange 2RS; Direct Orange 102 |
| Technique | ATR-Neat (DuraSamplIR II) |