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Details

Stereochemistry ACHIRAL
Molecular Formula C13H16O6
Molecular Weight 268.2625
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 4,5-Dimethoxy-2-methyl-3,6-dioxo-1,4-cyclohexadiene-1-butanoic acid

SMILES

COC1=C(OC)C(=O)C(CCCC(O)=O)=C(C)C1=O

InChI

InChIKey=BCIGBQHFDOYUDK-UHFFFAOYSA-N
InChI=1S/C13H16O6/c1-7-8(5-4-6-9(14)15)11(17)13(19-3)12(18-2)10(7)16/h4-6H2,1-3H3,(H,14,15)

HIDE SMILES / InChI

Molecular Formula C13H16O6
Molecular Weight 268.2625
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 17:37:56 GMT 2025
Edited
by admin
on Wed Apr 02 17:37:56 GMT 2025
Record UNII
79F356SN8W
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
4,5-Dimethoxy-2-methyl-3,6-dioxo-1,4-cyclohexadiene-1-butanoic acid
Systematic Name English
QS 4
Preferred Name English
1,4-Cyclohexadiene-1-butanoic acid, 4,5-dimethoxy-2-methyl-3,6-dioxo-
Systematic Name English
Code System Code Type Description
PUBCHEM
12906153
Created by admin on Wed Apr 02 17:37:56 GMT 2025 , Edited by admin on Wed Apr 02 17:37:56 GMT 2025
PRIMARY
FDA UNII
79F356SN8W
Created by admin on Wed Apr 02 17:37:56 GMT 2025 , Edited by admin on Wed Apr 02 17:37:56 GMT 2025
PRIMARY
CAS
58186-01-9
Created by admin on Wed Apr 02 17:37:56 GMT 2025 , Edited by admin on Wed Apr 02 17:37:56 GMT 2025
PRIMARY