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Details

Stereochemistry ABSOLUTE
Molecular Formula C18H13Cl3O9
Molecular Weight 479.649
Optical Activity UNSPECIFIED
Defined Stereocenters 5 / 5
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of .BETA.-D-GLUCOPYRANOSIDURONIC ACID, 3,7,8-TRICHLORODIBENZO(B,E)(1,4)DIOXIN-2-YL

SMILES

O[C@@H]1[C@@H](O)[C@H](OC2=CC3=C(OC4=CC(Cl)=C(Cl)C=C4O3)C=C2Cl)O[C@@H]([C@H]1O)C(O)=O

InChI

InChIKey=KAHALRUUUAHVDH-RNGZQALNSA-N
InChI=1S/C18H13Cl3O9/c19-5-1-9-10(2-6(5)20)28-12-4-8(7(21)3-11(12)27-9)29-18-15(24)13(22)14(23)16(30-18)17(25)26/h1-4,13-16,18,22-24H,(H,25,26)/t13-,14-,15+,16-,18+/m0/s1

HIDE SMILES / InChI

Molecular Formula C18H13Cl3O9
Molecular Weight 479.649
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 5 / 5
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 17:04:43 GMT 2023
Edited
by admin
on Sat Dec 16 17:04:43 GMT 2023
Record UNII
8SK4GH8MXC
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
.BETA.-D-GLUCOPYRANOSIDURONIC ACID, 3,7,8-TRICHLORODIBENZO(B,E)(1,4)DIOXIN-2-YL
Systematic Name English
3,7,8-TRICHLORODIBENZO(B,E)(1,4)DIOXIN-2-YL .BETA.-D-GLUCOPYRANOSIDURONIC ACID
Systematic Name English
2,3,7-TRICDD GLUCURONIDE
Common Name English
Code System Code Type Description
CAS
811435-73-1
Created by admin on Sat Dec 16 17:04:44 GMT 2023 , Edited by admin on Sat Dec 16 17:04:44 GMT 2023
PRIMARY
PUBCHEM
156596460
Created by admin on Sat Dec 16 17:04:44 GMT 2023 , Edited by admin on Sat Dec 16 17:04:44 GMT 2023
PRIMARY
FDA UNII
8SK4GH8MXC
Created by admin on Sat Dec 16 17:04:44 GMT 2023 , Edited by admin on Sat Dec 16 17:04:44 GMT 2023
PRIMARY
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