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Details

Stereochemistry ACHIRAL
Molecular Formula C12H10Cl5O4P
Molecular Weight 426.444
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 2,5-Cyclohexadien-4-one, pentachloro-4-(diallylphosphono)-

SMILES

ClC1=C(Cl)C(Cl)(C(Cl)=C(Cl)C1=O)P(=O)(OCC=C)OCC=C

InChI

InChIKey=YBBBPNIHQYSADG-UHFFFAOYSA-N
InChI=1S/C12H10Cl5O4P/c1-3-5-20-22(19,21-6-4-2)12(17)10(15)7(13)9(18)8(14)11(12)16/h3-4H,1-2,5-6H2

HIDE SMILES / InChI

Molecular Formula C12H10Cl5O4P
Molecular Weight 426.444
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 Tue Apr 01 19:37:46 GMT 2025
Edited
by admin
on Tue Apr 01 19:37:46 GMT 2025
Record UNII
B3M3265H52
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
NSC-222699
Preferred Name English
2,5-Cyclohexadien-4-one, pentachloro-4-(diallylphosphono)-
Common Name English
O,O-Diallyl p-(4-keto-1,2,3,5,6-pentachloro-2,5-cyclohexadienyl)phosphonate
Systematic Name English
Phosphonic acid, (1,2,3,5,6-pentachloro-4-oxo-2,5-cyclohexadien-1-yl)-, di-2-propenyl ester
Systematic Name English
Phosphonic acid, (4-oxo-1,2,3,5,6-pentachloro-2,5-cyclohexadienyl)-, diallyl ester
Systematic Name English
Code System Code Type Description
CAS
73806-36-7
Created by admin on Tue Apr 01 19:37:46 GMT 2025 , Edited by admin on Tue Apr 01 19:37:46 GMT 2025
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EPA CompTox
DTXSID90994823
Created by admin on Tue Apr 01 19:37:46 GMT 2025 , Edited by admin on Tue Apr 01 19:37:46 GMT 2025
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PUBCHEM
99441
Created by admin on Tue Apr 01 19:37:46 GMT 2025 , Edited by admin on Tue Apr 01 19:37:46 GMT 2025
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NSC
222699
Created by admin on Tue Apr 01 19:37:46 GMT 2025 , Edited by admin on Tue Apr 01 19:37:46 GMT 2025
PRIMARY
FDA UNII
B3M3265H52
Created by admin on Tue Apr 01 19:37:46 GMT 2025 , Edited by admin on Tue Apr 01 19:37:46 GMT 2025
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