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Details

Stereochemistry ACHIRAL
Molecular Formula C12H3Cl5O2
Molecular Weight 356.416
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 1,2,3,6,9-PENTACHLORODIBENZO-P-DIOXIN

SMILES

ClC1=CC=C(Cl)C2=C1OC3=C(O2)C(Cl)=C(Cl)C(Cl)=C3

InChI

InChIKey=NWKWRHSKKNELND-UHFFFAOYSA-N
InChI=1S/C12H3Cl5O2/c13-4-1-2-5(14)11-10(4)18-7-3-6(15)8(16)9(17)12(7)19-11/h1-3H

HIDE SMILES / InChI

Molecular Formula C12H3Cl5O2
Molecular Weight 356.416
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 20:17:33 GMT 2023
Edited
by admin
on Fri Dec 15 20:17:33 GMT 2023
Record UNII
2J1WXD2N9Q
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
1,2,3,6,9-PENTACHLORODIBENZO-P-DIOXIN
Common Name English
DIBENZO(B,E)(1,4)DIOXIN, 1,2,3,6,9-PENTACHLORO-
Systematic Name English
1,2,3,6,9-PECDD
Common Name English
PCDD 53
Common Name English
1,2,3,6,9-PENTACHLORODIBENZODIOXIN
Systematic Name English
Code System Code Type Description
FDA UNII
2J1WXD2N9Q
Created by admin on Fri Dec 15 20:17:33 GMT 2023 , Edited by admin on Fri Dec 15 20:17:33 GMT 2023
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CAS
82291-34-7
Created by admin on Fri Dec 15 20:17:33 GMT 2023 , Edited by admin on Fri Dec 15 20:17:33 GMT 2023
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EPA CompTox
DTXSID3074105
Created by admin on Fri Dec 15 20:17:33 GMT 2023 , Edited by admin on Fri Dec 15 20:17:33 GMT 2023
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PUBCHEM
54844
Created by admin on Fri Dec 15 20:17:33 GMT 2023 , Edited by admin on Fri Dec 15 20:17:33 GMT 2023
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