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Details

Stereochemistry ACHIRAL
Molecular Formula C13H7Cl5O2S
Molecular Weight 404.523
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 2,2′,4′,5,5′-Pentachloro-3-(methylsulfonyl)-1,1′-biphenyl

SMILES

CS(=O)(=O)C1=CC(Cl)=CC(=C1Cl)C2=C(Cl)C=C(Cl)C(Cl)=C2

InChI

InChIKey=PYZHICPTPGJNJA-UHFFFAOYSA-N
InChI=1S/C13H7Cl5O2S/c1-21(19,20)12-3-6(14)2-8(13(12)18)7-4-10(16)11(17)5-9(7)15/h2-5H,1H3

HIDE SMILES / InChI

Molecular Formula C13H7Cl5O2S
Molecular Weight 404.523
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

Substance Class Chemical
Created
by admin
on Fri Dec 15 17:47:26 GMT 2023
Edited
by admin
on Fri Dec 15 17:47:26 GMT 2023
Record UNII
SJN86KQ4PF
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
2,2′,4′,5,5′-Pentachloro-3-(methylsulfonyl)-1,1′-biphenyl
Systematic Name English
1,1′-Biphenyl, 2,2′,4′,5,5′-pentachloro-3-(methylsulfonyl)-
Systematic Name English
Methylsulfonyl-2,5,2',4',5'-pentachlorobiphenyl, 3-
Systematic Name English
Code System Code Type Description
CAS
66640-60-6
Created by admin on Fri Dec 15 17:47:26 GMT 2023 , Edited by admin on Fri Dec 15 17:47:26 GMT 2023
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PUBCHEM
107862
Created by admin on Fri Dec 15 17:47:26 GMT 2023 , Edited by admin on Fri Dec 15 17:47:26 GMT 2023
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EPA CompTox
DTXSID60216802
Created by admin on Fri Dec 15 17:47:26 GMT 2023 , Edited by admin on Fri Dec 15 17:47:26 GMT 2023
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FDA UNII
SJN86KQ4PF
Created by admin on Fri Dec 15 17:47:26 GMT 2023 , Edited by admin on Fri Dec 15 17:47:26 GMT 2023
PRIMARY