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[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:
981.86 g/mol
Names and Synonyms:
[Μ-[[3,3′-Methylenebis[2-Naphthalenesulfonato-Κo]](2-)]]Diphenyldimercury
Mercury, [μ-[[3,3′-methylenebis[2-naphthalenesulfonato-κO]](2-)]]diphenyldi-
Mercury, [μ-(3,3′-methylenedi-2-naphthalenesulfonato)]diphenyldi-
Mercury, [μ-[[3,3′-methylenebis[2-naphthalenesulfonato]](2-)]]diphenyldi-
Mercury, [methylenebis(3,2-naphthylenesulfonyloxy)]bis[phenyl-
Bis(phenylmercury) 3,3′-methylenedinaphthalene-2-sulfonate
2-Naphthalenesulfonic acid, 3,3′-methylenebis-, mercury complex
[μ-[[3,3′-Methylenebis[2-naphthalenesulfonato-κO]](2-)]]diphenyldimercury
Hydrargaphen
Diphenylmercuridinaphthylmethanedisulfonate
Penotrane
Versotrane
PMF
Conotrane
Fibrotan
Septotan
Phenylmercuric fixtan
Mercury, bis(phenyl-), methylenedinaphthalenesulfonate
Identifiers:
SMILES:
O=S(=O)([O-])c1cc2ccccc2cc1Cc1cc2ccccc2cc1S(=O)(=O)[O-].[Hg+].[Hg+].[c]1ccccc1.[c]1ccccc1
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
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 | 981.86 g/mol | CAS Common Chemistry |
| 981.8630000000002 g/mol | RDKit | |
| 984.042716488 g/mol | RDKit | |
| 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 |
| 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 |
| Molar Refractivity | 157.18439999999964 | RDKit |
