# Butanedioic acid, 2-sulfo-, 4-(2-(dodecyloxy)ethyl) ester, sodium salt (1:2)

**CAS:** 39354-45-5  
**PubChem CID:** [62904](https://pubchem.ncbi.nlm.nih.gov/compound/62904)  
**Molecular formula:** C18H32Na2O8S  
**Molar mass:** 454.5 g/mol  
**IUPAC:** disodium;4-(2-dodecoxyethoxy)-4-oxo-2-sulfonatobutanoate  
**SMILES:** `CCCCCCCCCCCCOCCOC(=O)CC(C(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+]`  
**InChIKey:** `ZZTKVOKJMCZYBC-UHFFFAOYSA-L`  
**InChI:** `InChI=1S/C18H34O8S.2Na/c1-2-3-4-5-6-7-8-9-10-11-12-25-13-14-26-17(19)15-16(18(20)21)27(22,23)24;;/h16H,2-15H2,1H3,(H,20,21)(H,22,23,24);;/q;2*+1/p-2`  

## Physicochemical properties

| Parameter | Value |
|---|---|
| PSA | 141 Ų |
| Hydrogen bond donors | 0 |
| Hydrogen bond acceptors | 8 |
| Rotatable bonds | 17 |
| Heavy atoms | 29 |

## 3D structure

The molecule contains 61 atoms connected by 58 chemical bonds. Interactive 3D model available at: https://molgod.org/molecule/39354-45-5/

## Synonyms

- Disodium 4-(2-(dodecyloxy)ethyl) 2-sulphonatosuccinate
- 94108-10-8
- RefChem:1080278
- Butanedioic acid, 2-sulfo-, 4-(2-(dodecyloxy)ethyl) ester, sodium salt (1:2)
- 302-348-1
- 39354-45-5
- EINECS 302-348-1
- SCHEMBL674038
- 4-(2-dodecoxyethoxy)-4-oxo-2-sulfonatobutanoate Disodium
- ZZTKVOKJMCZYBC-UHFFFAOYSA-L

## Data sources

- [PubChem CID 62904](https://pubchem.ncbi.nlm.nih.gov/compound/62904)
- [Wikidata](https://www.wikidata.org/wiki/Q81981290)
- [NIST WebBook](https://webbook.nist.gov/cgi/cbook.cgi?ID=39354-45-5)
- [ChEMBL](https://www.ebi.ac.uk/chembl/g/#search_results/all/query=39354-45-5)

---

*Last updated: 2026-10-17 · Generator: MOL-GOD v3.12.33*