Summary
| Name: | Thiomersal |
| Formula: | C9 H10 Hg O2 S |
| Formal charge: | 0 |
| Formula weight: | 382.83 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | ethyl[2-(sulfanyl-kappaS)benzoato]mercury |
| OpenEye OEToolkits | 1.9.2 | (2-carboxyphenyl)sulfanyl-ethyl-mercury |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=C(O)c1ccccc1S[Hg]CC |
| InChI | InChI | 1.03 | InChI=1S/C7H6O2S.C2H5.Hg/c8-7(9)5-3-1-2-4-6(5)10;1-2;/h1-4,10H,(H,8,9);1H2,2H3;/q;;+1/p-1 |
| InChIKey | InChI | 1.03 | HXQVQGWHFRNKMS-UHFFFAOYSA-M |
| SMILES_CANONICAL | CACTVS | 3.385 | CC[Hg]Sc1ccccc1C(O)=O |
| SMILES | CACTVS | 3.385 | CC[Hg]Sc1ccccc1C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.9.2 | CC[Hg]Sc1ccccc1C(=O)O |
| SMILES | OpenEye OEToolkits | 1.9.2 | CC[Hg]Sc1ccccc1C(=O)O |
