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Potassium Peroxymonosulfate Sulfate (2Khso5.Khso4.K2So4)
CAS: 37222-66-5 | H2KO13S3-4
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
37222-66-5
Molecular Formula:
H2KO13S3-4
Molecular Mass:
345.30 g/mol
Names and Synonyms:
Potassium Peroxymonosulfate Sulfate (2Khso5.Khso4.K2So4)
Potassium peroxymonosulfate sulfate (K5[HSO3(O2)]2(HSO4)(SO4))
Oxone
L-Gel
Caroate
Caroat
Potassium persulfate triple salt
Potassium peroxymonosulfate sulfate (2KHSO5.KHSO4.K2SO4)
Caro's salt
Caro's triple salt
Caro salt
Curox
Urutora San
PS 16
PS 16 (salt)
Basolan 2448
Potassium hydrogen monopersulfate
Potassium caroate
Identifiers:
SMILES:
O=S(=O)(O)O.O=S(=O)([O-])O[O-].O=S(=O)([O-])[O-].[K]
InChI:
InChI=1S/K.H2O5S.2H2O4S/c;1-5-6(2,3)4;2*1-5(2,3)4/h;1H,(H,2,3,4);2*(H2,1,2,3,4)/p-4
Spectral Data
NMR, IR, and Mass spectral data
1H NMR
13C NMR
Predicting NMR spectra...
10 ppm
9
8
7
6
5
4
3
2
1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
160
140
120
100
80
60
40
20
0 ppm
| Shift (ppm) | DEPT | Assignment |
|---|
Note: These NMR spectra are predicted computationally and may differ from experimental data. Predictions are based on chemical environment analysis.
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 345.30 g/mol | CAS Common Chemistry |
| 345.302 g/mol | RDKit | |
| 344.83165412364 g/mol | RDKit | |
| Canonical SMILES | [K].O=S(=O)([O-])[O-].O=S(=O)([O-])O.O=S(=O)([O-])OO | CAS Common Chemistry |
| InChI | InChI=1S/K.H2O5S.2H2O4S/c;1-5-6(2,3)4;2*1-5(2,3)4/h;1H,(H,2,3,4);2*(H2,1,2,3,4)/p-4 | CAS Common Chemistry |
| InChI Key | InChIKey=QNGMGUKVALHVLE-UHFFFAOYSA-J | CAS Common Chemistry |
| Name | Potassium peroxymonosulfate sulfate (2KHSO5.KHSO4.K2SO4) | CAS Common Chemistry |
| Heavy Atom Count | 17 | RDKit |
| Hydrogen Bond Acceptors | 11 | RDKit |
| Hydrogen Bond Donors | 2 | RDKit |
| Rotatable Bonds | 1 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 244.35 Ų | RDKit |
| LogP | -4.6331 | RDKit |
| Molar Refractivity | 41.1882 | RDKit |
