1. Primary Information
| English name: | Diisobutylnaphthalenesulfonic acid sodium salt |
| CAS No.: | 27213-90-7 |
| Molecular formula: | C18H23NAO3S |
| Molecular weight: | 342.4 g/mol |
| SMILES: | CC(C)CC1=CC2=CC=CC=C2C(=C1CC(C)C)S(=O)(=O)[O-].[Na+] |
| Structural class: | |
| Other identifiers: |
diisobutylnaphthalenesulfonate diisobutylnaphthalenesulfonate, calcium salt diisobutylnaphthalenesulfonate, sodium salt Nekal BX |
2. Suppliers & Pricing
| Supplier | Pack size | Purity | Price (CNY) | Storage conditions | Lead time | Notes |
| Kehua Intelligence | 500g | 60-65(%) | 80 | RT | in stock | - |
3. Structures
3.1 2D structure
3.2 3D structure
Coming soon
4. International Nomenclature & Identifiers
4.1 IUPAC Name
sodium;2,3-bis(2-methylpropyl)naphthalene-1-sulfonate
4.2 InChI
InChI=1S/C18H24O3S.Na/c1-12(2)9-15-11-14-7-5-6-8-16(14)18(22(19,20)21)17(15)10-13(3)4;/h5-8,11-13H,9-10H2,1-4H3,(H,19,20,21);/q;+1/p-1
4.3 InChIKey
PYODKQIVQIVELM-UHFFFAOYSA-M
4.4 Canonical SMILES
CC(C)CC1=CC2=CC=CC=C2C(=C1CC(C)C)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 --
