PMB
Summary
| Name: | PARA-MERCURY-BENZENESULFONIC ACID |
| Formula: | C6 H5 Cl Hg O3 S |
| Formal charge: | null |
| Formula weight: | 393.21 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 14.52 | chlorido(4-sulfophenyl)mercury |
| OpenEye OEToolkits | 3.1.0.0 | chloranyl-(4-sulfophenyl)mercury |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 14.52 | OS(=O)(=O)c1ccc([Hg]Cl)cc1 |
| InChI | InChI | 1.06 | InChI=1S/C6H5O3S.ClH.Hg/c7-10(8,9)6-4-2-1-3-5-6;;/h2-5H,(H,7,8,9);1H;/q;;+1/p-1 |
| InChIKey | InChI | 1.06 | XXEBDPRHFAWOND-UHFFFAOYSA-M |
| SMILES_CANONICAL | CACTVS | 3.385 | O[S](=O)(=O)c1ccc([Hg]Cl)cc1 |
| SMILES | CACTVS | 3.385 | O[S](=O)(=O)c1ccc([Hg]Cl)cc1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 3.1.0.0 | c1cc(ccc1S(=O)(=O)O)[Hg]Cl |
| SMILES | OpenEye OEToolkits | 3.1.0.0 | c1cc(ccc1S(=O)(=O)O)[Hg]Cl |
