Basic information
- CAS
104-34-7- Standard SMILES
CCCCCCCCCc1ccc(OCCOCCOCCOCCOS(=O)(=O)O)cc1- InChIKey
JYUQOKPBOVCAMU-UHFFFAOYSA-N- Molecular formula
- C23H40O8S
- Average molar mass
- 476.6 g/mol
- Monoisotopic mass
- 476.2443894
Names & identifiers
- Preferred name
- 2-[2-[2-[2-(4-Nonylphenoxy)ethoxy]ethoxy]ethoxy]ethyl hydrogen sulfate
- IUPAC
- 2-[2-[2-[2-(4-nonylphenoxy)ethoxy]ethoxy]ethoxy]ethyl hydrogen sulfate
Names & synonyms
2-[2-[2-[2-(4-nonylphenoxy)ethoxy]ethoxy]ethoxy]ethyl hydrogen sulfate2-(2-{2-[2-(4-nonylphenoxy)ethoxy]ethoxy}ethoxy)ethyl hydrogen sulfate104-34-7NPEO4-SO4SCHEMBL4067602Nonylphenol-4-ethoxylate sulfateDTXSID10865541JYUQOKPBOVCAMU-UHFFFAOYSA-NNS00098403
Database identifiers
- CAS
104-34-7- PubChem CID
- 24779
- DTXSID
DTXSID10865541- Nikkaji
- J3.438.850D
Properties
Computed structural properties
- XLogP
- 5
- Topological polar surface area
- 109 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 22
- Heavy atoms
- 32
- Formal charge
- 0
- Complexity
- 501
Experimental & physicochemical properties
SurfactantsSurfactant -> linear alkylbenzyl sulfonate (LAS)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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