Back to Search
Molecule
[Μ-[[3,3′-Methylenebis[2-Naphthalenesulfonato-Κo]](2-)]]Diphenyldimercury
CAS: 14235-86-0 · C33H24Hg2O6S2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 14235-86-0
- Molecular Formula
- C33H24Hg2O6S2
- Molecular Mass
- 981.8630000000002 g/mol
Identifiers
CAS Registry Number
14235-86-0
SMILES
O=S(=O)([O-])c1cc2ccccc2cc1Cc1cc2ccccc2cc1S(=O)(=O)[O-].[Hg+].[Hg+].[c]1ccccc1.[c]1ccccc1
InChI Key
KDNVJBRRDKAHDA-UHFFFAOYSA-L
InChI
InChI=1S/C21H16O6S2.2C6H5.2Hg/c22-28(23,24)20-12-16-7-3-1-5-14(16)9-18(20)11-19-10-15-6-2-4-8-17(15)13-21(19)29(25,26)27;2*1-2-4-6-5-3-1;;/h1-10,12-13H,11H2,(H,22,23,24)(H,25,26,27);2*1-5H;;/q;;;2*+1/p-2
Names and Synonyms
- [Μ-[[3,3′-Methylenebis[2-Naphthalenesulfonato-Κo]](2-)]]Diphenyldimercury Systematic Name
- Mercury, [μ-[[3,3′-methylenebis[2-naphthalenesulfonato-κO]](2-)]]diphenyldi- Synonym
- Mercury, [μ-(3,3′-methylenedi-2-naphthalenesulfonato)]diphenyldi- Synonym
- Mercury, [μ-[[3,3′-methylenebis[2-naphthalenesulfonato]](2-)]]diphenyldi- Synonym
- Mercury, [methylenebis(3,2-naphthylenesulfonyloxy)]bis[phenyl- Synonym
- Bis(phenylmercury) 3,3′-methylenedinaphthalene-2-sulfonate Synonym
- 2-Naphthalenesulfonic acid, 3,3′-methylenebis-, mercury complex Synonym
- [μ-[[3,3′-Methylenebis[2-naphthalenesulfonato-κO]](2-)]]diphenyldimercury Synonym
- Hydrargaphen Synonym
- Diphenylmercuridinaphthylmethanedisulfonate Synonym
- Penotrane Synonym
- Versotrane Synonym
- PMF Synonym
- Conotrane Synonym
- Fibrotan Synonym
- Septotan Synonym
- Phenylmercuric fixtan Synonym
- Mercury, bis(phenyl-), methylenedinaphthalenesulfonate Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Canonical SMILES | O=S(=O)(O[Hg]C=1C=CC=CC1)C2=CC=3C=CC=CC3C=C2CC4=CC=5C=CC=CC5C=C4S(=O)(=O)O[Hg]C=6C=CC=CC6 | CAS Common Chemistry |
| InChI | InChI=1S/C21H16O6S2.2C6H5.2Hg/c22-28(23,24)20-12-16-7-3-1-5-14(16)9-18(20)11-19-10-15-6-2-4-8-17(15)13-21(19)29(25,26)27;2*1-2-4-6-5-3-1;;/h1-10,12-13H,11H2,(H,22,23,24)(H,25,26,27);2*1-5H;;/q;;;2*+1/p-2 | CAS Common Chemistry |
| InChI Key | InChIKey=KDNVJBRRDKAHDA-UHFFFAOYSA-L | CAS Common Chemistry |
| Name | [μ-[[3,3′-Methylenebis[2-naphthalenesulfonato-κO]](2-)]]diphenyldimercury | CAS Common Chemistry |
| Molecular Mass | 981.8630000000002 g/mol | RDKit |
| 984.042716488 g/mol | RDKit | |
| 981.863 g/mol | RDKit | |
| 987.901 g/mol | chempirical lib | |
| Heavy Atom Count | 43 | RDKit |
| Hydrogen Bond Acceptors | 6 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 4 | RDKit |
| Aromatic Ring Count | 6 | RDKit |
| Topological Polar Surface Area | 114.4 Ų | RDKit |
| LogP | 6.360580000000006 | RDKit |
| 6.3606 | RDKit | |
| 6.13 | chempirical lib | |
| Molar Refractivity | 157.18439999999964 cm³/mol | RDKit |
| Ring Count | 6 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.0303 | RDKit |
| 0.03 | chempirical lib | |
| Exact Mass | 981.86 g/mol | CAS Common Chemistry |
Spectral Data
NMR, IR, and Mass spectral data
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.
External Resources
Convert
Quick conversion
MW = 981.86 g/mol. Edit any field — others recompute live.
