≥95%(HPLC) for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Store at 2-8°C Ships Wet ice 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 | CCCCCCCCN(CCCCCCCC)C1=CC2=C(C=C1)C=C(C=C2)C=CC3=CC=[N+](C=C3)CCCS(=O)(=O)[O-] |
|---|---|
| IUPAC Name | 3-[4-[(E)-2-[6-(dioctylamino)naphthalen-2-yl]ethenyl]pyridin-1-ium-1-yl]propane-1-sulfonate |
| InChIKey | IXFSUSNUALIXLU-UHFFFAOYSA-N |
| INCHI | 1S/C36H52N2O3S/c1-3-5-7-9-11-13-25-38(26-14-12-10-8-6-4-2)36-21-20-34-30-33(18-19-35(34)31-36)17-16-32-22-27-37(28-23-32)24-15-29-42(39,40)41/h16-23,27-28,30-31H,3-15,24-26,29H2,1-2H3 |
| Isomeric SMILES | CCCCCCCCN(CCCCCCCC)C1=CC2=C(C=C1)C=C(C=C2)/C=C/C3=CC=[N+](C=C3)CCCS(=O)(=O)[O-] |
| Molecular Weight | 592.875 |
| Reaxy-Rn | 10624058 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=10624058&ln= |
Comprehensive hazard, handling, storage, and regulatory compliance document.
Download SDS →Lot-specific quality data. Enter your lot number to retrieve the exact COA.
Look up COA →Full quality attributes and acceptance criteria for this grade.
View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Benzenoids |
| Class | Naphthalenes |
| Subclass | Not available |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Naphthalenes |
| Alternative Parents | Styrenes Dialkylarylamines Pyridinium derivatives Sulfonyls Organosulfonic acids Heteroaromatic compounds Alkanesulfonic acids Azacyclic compounds Organopnictogen compounds Organic zwitterions Organic oxides Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | Naphthalene - Styrene - Tertiary aliphatic/aromatic amine - Dialkylarylamine - Pyridine - Pyridinium - Heteroaromatic compound - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Organosulfonic acid - Alkanesulfonic acid - Sulfonyl - Tertiary amine - Organoheterocyclic compound - Azacycle - Hydrocarbon derivative - Organic zwitterion - Organic oxide - Organic oxygen compound - Amine - Organosulfur compound - Organonitrogen compound - Organic nitrogen compound - Organopnictogen compound - Aromatic heteropolycyclic compound |
| Description | This compound belongs to the class of organic compounds known as naphthalenes. These are compounds containing a naphthalene moiety, which consists of two fused 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 |
|---|---|---|---|
 L2320129 | Certificate of Analysis | Oct 11, 2025 | D131135 |
| H2512123 | Certificate of Analysis | Aug 15, 2025 | D131135 |
| C2506154 | Certificate of Analysis | Mar 10, 2025 | D131135 |
| F1918174 | Certificate of Analysis | Nov 04, 2024 | D131135 |
| L2413638 | Certificate of Analysis | Apr 10, 2024 | D131135 |
| Molecular Weight | 592.900 g/mol |
|---|---|
| XLogP3 | 10.600 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 20 |
| Exact Mass | 592.37 Da |
| Monoisotopic Mass | 592.37 Da |
| Topological Polar Surface Area | 72.700 Ų |
| Heavy Atom Count | 42 |
| Formal Charge | 0 |
| Complexity | 789.000 |
| 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 | 1 |
