CHEBI:49809 - 2,2',5,5'-tetrachloro-4,4'-bis(methylsulfonyl)biphenyl

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name 2,2',5,5'-tetrachloro-4,4'-bis(methylsulfonyl)biphenyl
ChEBI ID CHEBI:49809
Definition An member of the class of biphenyls that is 2,2',5,5'-tetrachlorobiphenyl in which the 4 and 4' positions are substituted by methylsulfonyl groups.
Stars This entity has been manually annotated by the ChEBI Team.
Secondary ChEBI IDs CHEBI:49808, CHEBI:32921
Supplier Information
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Formula C14H10Cl4O4S2
Net Charge 0
Average Mass 448.16960
Monoisotopic Mass 445.87746
InChI InChI=1S/C14H10Cl4O4S2/c1-23(19,20)13-5-9(15)7(3-11(13)17)8-4-12(18)14(6-10(8)16)24(2,21)22/h3-6H,1-2H3
InChIKey RDBKPLOYRMCFIY-UHFFFAOYSA-N
SMILES CS(=O)(=O)c1cc(Cl)c(cc1Cl)-c1cc(Cl)c(cc1Cl)S(C)(=O)=O
ChEBI Ontology
Outgoing 2,2',5,5'-tetrachloro-4,4'-bis(methylsulfonyl)biphenyl (CHEBI:49809) has functional parent 2,2',5,5'-tetrachlorobiphenyl (CHEBI:34206)
2,2',5,5'-tetrachloro-4,4'-bis(methylsulfonyl)biphenyl (CHEBI:49809) is a biphenyls (CHEBI:22888)
2,2',5,5'-tetrachloro-4,4'-bis(methylsulfonyl)biphenyl (CHEBI:49809) is a dichlorobenzene (CHEBI:23697)
2,2',5,5'-tetrachloro-4,4'-bis(methylsulfonyl)biphenyl (CHEBI:49809) is a sulfone (CHEBI:35850)
IUPAC Name
2,2',5,5'-tetrachloro-4,4'-bis(methylsulfonyl)-1,1'-biphenyl
Synonyms Sources
4,4'-BIS([H]METHYLSULFONYL)-2,2',5,5'-TETRACHLOROBIPHENYL PDBeChem
4,4'-bis(methylsulfonyl)-2,2',5,5'-tetrachlorobiphenyl ChemIDplus
Manual Xrefs Databases
DB08373 DrugBank
PCB PDBeChem
View more database links
Registry Numbers Types Sources
2228481 Beilstein Registry Number Beilstein
2228481 Reaxys Registry Number Reaxys
66640-68-4 CAS Registry Number ChemIDplus
Last Modified
23 October 2014