Search Result : Detailed Informations

Low Mol Weight Allergen Name CAS# CID
Thiomersal / Thimerosal / Merthiolate 54-64-8 16684434
Structure Other Information
Canonical SMILES CC[Hg]SC1=CC=CC=C1C(=O)[O-].[Na+]
Iso SMILES CC[Hg]SC1=CC=CC=C1C(=O)[O-].[Na+]
InChI InChI=1S/C7H6O2S.C2H5.Hg.Na/c8-7(9)5-3-1-2-4-6(5)10;1-2;;/h1-4,10H,(H,8,9);1H2,2H3;;/q;;2*+1/p-2
InChI Key RTKIYNMVFMVABJ-UHFFFAOYSA-L
Formula C9H9HgNaO2S
Mol Weight 404.811
XlogP3 0
Charge 0

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Synonyms Information
CAS Name sodium [(2-carboxylatophenyl)thio]-ethylmercury
IUPAC Name sodium (2-carboxylatophenyl)sulfanyl-ethyl-mercury
Openeye Name sodium (2-carboxylatophenyl)sulfanyl-ethylmercury
Systematic Name sodium (2-carboxylatophenyl)sulfanyl-ethyl-mercury
Tratitional Name sodium (2-carboxylatophenyl)sulfanyl-ethyl-mercury