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Details

Stereochemistry ACHIRAL
Molecular Formula C19H16O10
Molecular Weight 404.3243
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 5-Methyl 7,7?-dimethoxy[4,4?-bi-1,3-benzodioxole]-5,5?-dicarboxylate

SMILES

COC(=O)C1=C(C2=C(OCO2)C(OC)=C1)C3=C(C=C(OC)C4=C3OCO4)C(O)=O

InChI

InChIKey=VVRXOUGWCMBBIS-UHFFFAOYSA-N
InChI=1S/C19H16O10/c1-23-10-4-8(18(20)21)12(16-14(10)26-6-28-16)13-9(19(22)25-3)5-11(24-2)15-17(13)29-7-27-15/h4-5H,6-7H2,1-3H3,(H,20,21)

HIDE SMILES / InChI

Molecular Formula C19H16O10
Molecular Weight 404.3243
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 Wed Apr 02 17:59:36 GMT 2025
Edited
by admin
on Wed Apr 02 17:59:36 GMT 2025
Record UNII
544F84WK7R
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
Bifendate Impurity E
Preferred Name English
5-Methyl 7,7?-dimethoxy[4,4?-bi-1,3-benzodioxole]-5,5?-dicarboxylate
Systematic Name English
[4,4?-Bi-1,3-benzodioxole]-5,5?-dicarboxylic acid, 7,7?-dimethoxy-, 5-methyl ester
Systematic Name English
7-Methoxy-4-[7-methoxy-5-(methoxycarbonyl)-2H-1,3-benzodioxol-4-yl]-2H-1,3-benzodioxole-5-carboxylic acid
Systematic Name English
[4,4?-Bi-1,3-benzodioxole]-5,5?-dicarboxylic acid, 7,7?-dimethoxy-, monomethyl ester
Systematic Name English
Code System Code Type Description
CAS
205117-47-1
Created by admin on Wed Apr 02 17:59:36 GMT 2025 , Edited by admin on Wed Apr 02 17:59:36 GMT 2025
PRIMARY
PUBCHEM
12016591
Created by admin on Wed Apr 02 17:59:36 GMT 2025 , Edited by admin on Wed Apr 02 17:59:36 GMT 2025
PRIMARY
FDA UNII
544F84WK7R
Created by admin on Wed Apr 02 17:59:36 GMT 2025 , Edited by admin on Wed Apr 02 17:59:36 GMT 2025
PRIMARY
Related Record Type Details
PARENT -> IMPURITY