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

CAS: 39354-45-5
PubChem CID: 62904
InChIKey: ZZTKVOKJMCZYBC-UHFFFAOYSA-L
Wikidata: Q81981290
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+]
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
PSA: 141 A^2
Hydrogen bond donors: 0
Hydrogen bond acceptors: 8
Rotatable bonds: 17
Heavy atoms: 29
3D structure: 61 atoms, 58 bonds

## About the compound

Butanedioic acid, 2-sulfo-, 4-(2-(dodecyloxy)ethyl) ester, sodium salt (1:2) is a chemical compound registered under CAS number 39354-45-5. Molecular formula: C18H32Na2O8S. Molar mass: 454.5 g/mol. The full systematic IUPAC name is: disodium;4-(2-dodecoxyethoxy)-4-oxo-2-sulfonatobutanoate. The molecule contains 61 atoms connected by 58 chemical bonds. 
Chemical data comes from the PubChem (NIH), ChEMBL (EBI) and NIST WebBook databases. GHS statement translations comply with the CLP Regulation (EC 1272/2008). Interactive 3D model and 2D skeleton 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
  - NS00091973
  - DISODIUM 4-[2-(DODECYLOXY)ETHOXY]-4-OXO-2-SULFONATOBUTANOATE

## 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

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Last updated: 2026-10-17
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