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Details

Stereochemistry ACHIRAL
Molecular Formula C9H6Cl6O3S
Molecular Weight 406.925
Optical Activity UNSPECIFIED
Defined Stereocenters 5 / 5
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of ENDOSULFAN I

SMILES

[H][C@]12CO[S@@+]([O-])OC[C@@]1([H])[C@@]3(Cl)C(Cl)=C(Cl)[C@]2(Cl)C3(Cl)Cl

InChI

InChIKey=RDYMFSUJUZBWLH-BEJSPLBDSA-N
InChI=1S/C9H6Cl6O3S/c10-5-6(11)8(13)4-2-18-19(16)17-1-3(4)7(5,12)9(8,14)15/h3-4H,1-2H2/t3-,4+,7-,8+,19+

HIDE SMILES / InChI

Molecular Formula C9H6Cl6O3S
Molecular Weight 406.925
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 4 / 4
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Fri Dec 15 18:30:06 UTC 2023
Edited
by admin
on Fri Dec 15 18:30:06 UTC 2023
Record UNII
QY5Y9R7G0E
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
ENDOSULFAN I
Common Name English
ENDOSULFAN A
Common Name English
6,9-METHANO-2,4,3-BENZODIOXATHIEPIN, 6,7,8,9,10,10-HEXACHLORO-1,5,5A,6,9,9A-HEXAHYDRO-, 3-OXIDE
Common Name English
.ALPHA.-ENDOSULFAN
Common Name English
ENDOSULFAN [MART.]
Common Name English
THIODAN I
Brand Name English
1,4,5,6,7,7-HEXACHLORO-5-NORBORNENE-2,3-DIMETHANOL CYCLIC SULFITE
Common Name English
ALPHA-ENDOSULFAN [ISO]
Common Name English
ALPHA-ENDOSULFAN
ISO  
Common Name English
.ALPHA.-BENZOEPIN
Common Name English
.ALPHA.-THIODAN
Common Name English
6,9-METHANO-2,4,3-BENZODIOXATHIEPIN, 6,7,8,9,10,10-HEXACHLORO-1,5,5A,6,9,9A-HEXAHYDRO-, 3-OXIDE, (3.ALPHA.,5A.BETA.,6.ALPHA.,9.ALPHA.,9A.BETA.)-
Common Name English
5-NORBORNENE-2,3-DIMETHANOL, 1,4,5,6,7,7-HEXACHLORO-, CYCLIC SULFITE
Common Name English
Classification Tree Code System Code
EPA PESTICIDE CODE 79402
Created by admin on Fri Dec 15 18:30:06 UTC 2023 , Edited by admin on Fri Dec 15 18:30:06 UTC 2023
Code System Code Type Description
CAS
959-98-8
Created by admin on Fri Dec 15 18:30:06 UTC 2023 , Edited by admin on Fri Dec 15 18:30:06 UTC 2023
PRIMARY
FDA UNII
QY5Y9R7G0E
Created by admin on Fri Dec 15 18:30:06 UTC 2023 , Edited by admin on Fri Dec 15 18:30:06 UTC 2023
PRIMARY
CHEBI
4791
Created by admin on Fri Dec 15 18:30:06 UTC 2023 , Edited by admin on Fri Dec 15 18:30:06 UTC 2023
PRIMARY
EPA CompTox
DTXSID9037539
Created by admin on Fri Dec 15 18:30:06 UTC 2023 , Edited by admin on Fri Dec 15 18:30:06 UTC 2023
PRIMARY
ALANWOOD
alpha-endosulfan
Created by admin on Fri Dec 15 18:30:06 UTC 2023 , Edited by admin on Fri Dec 15 18:30:06 UTC 2023
PRIMARY
Related Record Type Details
METABOLIC ENZYME -> SUBSTRATE
METABOLIC ENZYME -> SUBSTRATE
Related Record Type Details
METABOLITE -> PARENT
INN VITRO