1. Primary Information
| English name: | 2-[Hydroxy-(2-triacont-19-enoyloxy-3-tritetracontanoyloxypropoxy)phosphoryl]oxyethyl-trimethylazanium |
| CAS No.: | 61789-91-1 |
| Molecular formula: | C81H161NO8P+ |
| Molecular weight: | 1308.1 g/mol |
| SMILES: | CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COP(=O)(O)OCC[N+](C)(C)C)OC(=O)CCCCCCCCCCCCCCCCCC=CCCCCCCCCCC |
| Structural class: | |
| Other identifiers: |
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2. Suppliers & Pricing
| Supplier | Pack size | Purity | Price (CNY) | Storage conditions | Lead time | Notes |
| Kehua Intelligence | 500ml | - | 284 | RT | in stock | - |
3. Structures
3.1 2D structure
3.2 3D structure
4. International Nomenclature & Identifiers
4.1 IUPAC Name
2-[hydroxy-(2-triacont-19-enoyloxy-3-tritetracontanoyloxypropoxy)phosphoryl]oxyethyl-trimethylazanium
4.2 InChI
InChI=1S/C81H160NO8P/c1-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-35-36-37-38-39-40-41-42-43-44-45-46-48-49-51-53-55-57-59-61-63-65-67-69-71-73-80(83)87-77-79(78-89-91(85,86)88-76-75-82(3,4)5)90-81(84)74-72-70-68-66-64-62-60-58-56-54-52-50-47-33-31-29-27-25-23-21-19-17-15-13-11-9-7-2/h25,27,79H,6-24,26,28-78H2,1-5H3/p+1
4.3 InChIKey
XSJXQOWOUUDOGV-UHFFFAOYSA-O
4.4 Canonical SMILES
CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COP(=O)(O)OCC[N+](C)(C)C)OC(=O)CCCCCCCCCCCCCCCCCC=CCCCCCCCCCC
4.5 Isomeric SMILES
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