for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Protected from light,Room temperature Ships Normal Check lot-specific COA for exact specifications.
SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.
Cited in 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
| Canonical Smiles | C1=CC=C(C=C1)NC2=NC(=NC(=N2)NCCO)NC3=CC(=C(C=C3)C=CC4=C(C=C(C=C4)NC5=NC(=NC(=N5)NC6=CC=CC=C6)NCCO)S(=O)(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+] |
|---|---|
| IUPAC Name | disodium;5-[[4-anilino-6-(2-hydroxyethylamino)-1,3,5-triazin-2-yl]amino]-2-[(E)-2-[4-[[4-anilino-6-(2-hydroxyethylamino)-1,3,5-triazin-2-yl]amino]-2-sulfonatophenyl]ethenyl]benzenesulfonate |
| InChIKey | HIMNALZNLAOESZ-YHPRVSEPSA-L |
| INCHI | 1S/C36H36N12O8S2.2Na/c49-19-17-37-31-43-33(39-25-7-3-1-4-8-25)47-35(45-31)41-27-15-13-23(29(21-27)57(51,52)53)11-12-24-14-16-28(22-30(24)58(54,55)56)42-36-46-32(38-18-20-50)44-34(48-36)40-26-9-5-2-6-10-26;;/h1-16,21-22,49-50H,17-20H2,(H,51,52,53)(H,54,55,56)(H3,37,39,41,43,45,47)(H3,38,40,42,44,46,48);;/q;2*+1/p-2/b12-11+;; |
| Isomeric SMILES | C1=CC=C(C=C1)NC2=NC(=NC(=N2)NCCO)NC3=CC(=C(C=C3)/C=C/C4=C(C=C(C=C4)NC5=NC(=NC(=N5)NC6=CC=CC=C6)NCCO)S(=O)(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+] |
| Molecular Weight | 872.84 |
| Reaxy-Rn | 22066092 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=22066092&ln= |
Comprehensive hazard, handling, storage, and regulatory compliance document.
Download SDS →Lot-specific quality data. Enter your lot number to retrieve the exact COA.
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View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Phenylpropanoids and polyketides |
| Class | Stilbenes |
| Subclass | Sulfonated stilbenes |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Sulfonated stilbenes |
| Alternative Parents | Benzenesulfonic acids and derivatives Benzenesulfonyl compounds 1-sulfo,2-unsubstituted aromatic compounds Styrenes Aniline and substituted anilines Secondary alkylarylamines N-aliphatic s-triazines 1,3,5-triazines Sulfonyls Organosulfonic acids Heteroaromatic compounds Azacyclic compounds Alkanolamines Primary alcohols Organopnictogen compounds Organic zwitterions Organic sodium salts Organic oxides Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteromonocyclic compounds |
| Substituents | Sulfonated stilbene - Benzenesulfonate - Benzenesulfonyl group - 1-sulfo,2-unsubstituted aromatic compound - Arylsulfonic acid or derivatives - Aniline or substituted anilines - Styrene - N-aliphatic s-triazine - Secondary aliphatic/aromatic amine - Aminotriazine - Amino-1,3,5-triazine - 1,3,5-triazine - Benzenoid - Triazine - Monocyclic benzene moiety - Heteroaromatic compound - Sulfonyl - Organosulfonic acid - Organosulfonic acid or derivatives - Organic sulfonic acid or derivatives - Azacycle - Organic alkali metal salt - Organoheterocyclic compound - Secondary amine - Alkanolamine - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organic sodium salt - Organic salt - Organic zwitterion - Primary alcohol - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Amine - Alcohol - Aromatic heteromonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as sulfonated stilbenes. These are stilbenes that carry a sulfone group at one or more positions of either benzene rings. |
| External Descriptors | Not available |
Find and download the COA for your product by matching the lot number on the packaging.
| Lot Number | Certificate Type | Date | Item |
|---|---|---|---|
 A2514436 | Certificate of Analysis | Jan 07, 2025 | F352670 |
| A2514437 | Certificate of Analysis | Jan 07, 2025 | F352670 |
| A2514439 | Certificate of Analysis | Jan 07, 2025 | F352670 |
| A2514440 | Certificate of Analysis | Jan 07, 2025 | F352670 |
| A2514441 | Certificate of Analysis | Jan 07, 2025 | F352670 |
| A2514442 | Certificate of Analysis | Jan 07, 2025 | F352670 |
| A2514443 | Certificate of Analysis | Jan 07, 2025 | F352670 |
| A2514444 | Certificate of Analysis | Jan 07, 2025 | F352670 |
| A2514445 | Certificate of Analysis | Jan 07, 2025 | F352670 |
| C2605023 | Certificate of Analysis | Jan 07, 2025 | F352670 |
| Sensitivity | Light sensitive |
|---|---|
| Molecular Weight | 872.800 g/mol |
| XLogP3 | |
| Hydrogen Bond Donor Count | 8 |
| Hydrogen Bond Acceptor Count | 20 |
| Rotatable Bond Count | 16 |
| Exact Mass | 872.186 Da |
| Monoisotopic Mass | 872.186 Da |
| Topological Polar Surface Area | 321.000 Ų |
| Heavy Atom Count | 60 |
| Formal Charge | 0 |
| Complexity | 1350.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| The total count of all stereochemical bonds | 1 |
| Covalently-Bonded Unit Count | 3 |
