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Sulfonium, (Thiodi-4,1-Phenylene)Bis[Diphenyl-, (Oc-6-11)-Hexafluoroantimonate(1-) (1:2)
CAS: 89452-37-9 | C36H28F6S3Sb+
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
89452-37-9
Molecular Formula:
C36H28F6S3Sb+
Molecular Mass:
792.57 g/mol
Names and Synonyms:
Sulfonium, (Thiodi-4,1-Phenylene)Bis[Diphenyl-, (Oc-6-11)-Hexafluoroantimonate(1-) (1:2)
Sulfonium, (thiodi-4,1-phenylene)bis[diphenyl-, (OC-6-11)-hexafluoroantimonate(1-) (1:2)
Sulfonium, (thiodi-4,1-phenylene)bis[diphenyl-, bis[(OC-6-11)-hexafluoroantimonate(1-)]
Antimonate(1-), hexafluoro-, (OC-6-11)-, (thiodi-4,1-phenylene)bis[diphenylsulfonium] (2:1)
4,4′-Bis[diphenylsulfonio]phenylsulfide bishexafluoroantimonate
SarCat KI 85
Bis[4-(diphenylsulfonio)phenyl] sulfide bis(hexafluoroantimonate)
KI 85
IHT-PI 436
TR-PAG 201
Easepi 6992
PI 6992
Identifiers:
SMILES:
[F-].[F-].[F-].[F-].[F-].[F-].[Sb+5].c1ccc([S+](c2ccccc2)c2ccc(Sc3ccc([S+](c4ccccc4)c4ccccc4)cc3)cc2)cc1
InChI:
InChI=1S/C36H28S3.6FH.Sb/c1-5-13-31(14-6-1)38(32-15-7-2-8-16-32)35-25-21-29(22-26-35)37-30-23-27-36(28-24-30)39(33-17-9-3-10-18-33)34-19-11-4-12-20-34;;;;;;;/h1-28H;6*1H;/q+2;;;;;;;+5/p-6
Spectral Data
NMR, IR, and Mass spectral data
1H NMR
13C NMR
Predicting NMR spectra...
10 ppm
9
8
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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 | 792.57 g/mol | CAS Common Chemistry |
| 792.5690000000002 g/mol | RDKit | |
| 791.0290003360901 g/mol | RDKit | |
| Canonical SMILES | [F-][Sb+5]([F-])([F-])([F-])([F-])[F-].S(C1=CC=C(C=C1)[S+](C=2C=CC=CC2)C=3C=CC=CC3)C4=CC=C(C=C4)[S+](C=5C=CC=CC5)C=6C=CC=CC6 | CAS Common Chemistry |
| InChI | InChI=1S/C36H28S3.6FH.Sb/c1-5-13-31(14-6-1)38(32-15-7-2-8-16-32)35-25-21-29(22-26-35)37-30-23-27-36(28-24-30)39(33-17-9-3-10-18-33)34-19-11-4-12-20-34;;;;;;;/h1-28H;6*1H;/q+2;;;;;;;+5/p-6 | CAS Common Chemistry |
| InChI Key | InChIKey=CIBFRRFREVQSJD-UHFFFAOYSA-H | CAS Common Chemistry |
| Name | Sulfonium, (thiodi-4,1-phenylene)bis[diphenyl-, (OC-6-11)-hexafluoroantimonate(1-) (1:2) | CAS Common Chemistry |
| Heavy Atom Count | 46 | RDKit |
| Hydrogen Bond Acceptors | 1 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 8 | RDKit |
| Aromatic Ring Count | 6 | RDKit |
| Topological Polar Surface Area | 0.0 Ų | RDKit |
| LogP | -8.32820000000003 | RDKit |
| Molar Refractivity | 172.8549999999996 | RDKit |
