Basic information
- CAS
26746-29-2- Standard SMILES
CCCCc1ccc(S(=O)(=O)[O-])cc1.CCCCc1cccc(S(=O)(=O)[O-])c1.CCCCc1ccccc1S(=O)(=O)[O-].[Na+].[Na+].[Na+]- InChIKey
NJKABEAGDZKYCV-UHFFFAOYSA-K- Molecular formula
- C30H39Na3O9S3
- Average molar mass
- 708.8 g/mol
- Monoisotopic mass
- 708.14492918
Names & identifiers
- Preferred name
- Trisodium;2-butylbenzenesulfonate;3-butylbenzenesulfonate;4-butylbenzenesulfonate
- IUPAC
- trisodium;2-butylbenzenesulfonate;3-butylbenzenesulfonate;4-butylbenzenesulfonate
Names & synonyms
26746-29-2AC1L1PWQDTXSID00275054trisodium;2-butylbenzenesulfonate;3-butylbenzenesulfonate;4-butylbenzenesulfonateSodium 2-butylbenzene-1-sulfonate 3-butylbenzene-1-sulfonate 4-butylbenzene-1-sulfonate (3/1/1/1)
Database identifiers
- CAS
26746-29-2- PubChem CID
- 33592
- DTXSID
DTXSID00275054
Properties
Computed structural properties
- Topological polar surface area
- 197 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 9
- Heavy atoms
- 45
- Formal charge
- 0
- Complexity
- 711
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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