1. Primary Information
| English name: | Docusate Sodium |
| CAS No.: | 577-11-7 |
| Molecular formula: | C20H37NAO7S |
| Molecular weight: | 444.6 g/mol |
| SMILES: | CCCCC(CC)COC(=O)CC(C(=O)OCC(CC)CCCC)S(=O)(=O)[O-].[Na+] |
| Structural class: | |
| Other identifiers: |
Aerosol OT Colace DEH Na SS DEH-Na-SS diethylhexyl sodium sulfosuccinate |
2. Suppliers & Pricing
| Supplier | Pack size | Purity | Price (CNY) | Storage conditions | Lead time | Notes |
| Kehua Intelligence | 500mg | 98% | 272 | RT | in stock | - |
| Kehua Intelligence | 25g | CP | 28 | RT | in stock | - |
| Kehua Intelligence | 100g | CP | 64 | RT | in stock | - |
| Kehua Intelligence | 500g | CP | 224 | RT | in stock | - |
3. Structures
3.1 2D structure
3.2 3D structure
Coming soon
4. International Nomenclature & Identifiers
4.1 IUPAC Name
sodium;1,4-bis(2-ethylhexoxy)-1,4-dioxobutane-2-sulfonate
4.2 InChI
InChI=1S/C20H38O7S.Na/c1-5-9-11-16(7-3)14-26-19(21)13-18(28(23,24)25)20(22)27-15-17(8-4)12-10-6-2;/h16-18H,5-15H2,1-4H3,(H,23,24,25);/q;+1/p-1
4.3 InChIKey
APSBXTVYXVQYAB-UHFFFAOYSA-M
4.4 Canonical SMILES
CCCCC(CC)COC(=O)CC(C(=O)OCC(CC)CCCC)S(=O)(=O)[O-].[Na+]
4.5 Isomeric SMILES
-
4.6 SDF file
Coming soon
5. Spectroscopic data
5.1 13C nuclear magnetic resonance (13C NMR)
5.2 1H nuclear magnetic resonance (1H NMR)
5.3 Mass spectrometry (MS)
Coming soon
5.4 Infrared spectroscopy (IR)
Coming soon
5.5 Ultraviolet/visible spectroscopy (UV/Vis)
Coming soon
-- No 3D model data available --
