Benzenesulfonic acid, 2,4-didodecyl-, ammonium salt (1:1)
Basic information
- CAS
81611-36-1- Standard SMILES
CCCCCCCCCCCCc1ccc(S(=O)(=O)[O-])c(CCCCCCCCCCCC)c1.[NH4+]- InChIKey
XNWIDFNOHVISPS-UHFFFAOYSA-N- Molecular formula
- C30H57NO3S
- Average molar mass
- 511.8 g/mol
- Monoisotopic mass
- 511.40591585
Names & identifiers
- Preferred name
- Benzenesulfonic acid, 2,4-didodecyl-, ammonium salt (1:1)
- IUPAC
- azanium 2,4-didodecylbenzenesulfonate
Names & synonyms
Benzenesulfonic acid, 2,4-didodecyl-, ammonium salt2,4-Di(dodecyl)benzenesulfonic acid, ammonium salt81611-36-1Benzenesulfonic acid, 2,4-didodecyl-, ammonium salt (1:1)DTXSID20888589RefChem:117790DTXCID601027865Ammonium 2,4-didodecylbenzene-1-sulfonate
Database identifiers
- CAS
81611-36-1- PubChem CID
- 174240
- DTXSID
DTXSID20888589
Properties
Computed structural properties
- Topological polar surface area
- 66.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 22
- Heavy atoms
- 35
- Formal charge
- 0
- Complexity
- 526
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationBenzenesulfonic acid, 2,4-didodecyl-, ammonium salt (1:1): ACTIVE
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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