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Details

Stereochemistry ACHIRAL
Molecular Formula C18H16O9
Molecular Weight 376.3142
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 5?-(Hydroxymethyl)-7,7?-dimethoxy[4,4?-bi-1,3-benzodioxole]-5-carboxylic acid

SMILES

COC1=CC(CO)=C(C2=C1OCO2)C3=C(C=C(OC)C4=C3OCO4)C(O)=O

InChI

InChIKey=YNLBZTAGBOFOIV-UHFFFAOYSA-N
InChI=1S/C18H16O9/c1-22-10-3-8(5-19)12(16-14(10)24-6-26-16)13-9(18(20)21)4-11(23-2)15-17(13)27-7-25-15/h3-4,19H,5-7H2,1-2H3,(H,20,21)

HIDE SMILES / InChI

Molecular Formula C18H16O9
Molecular Weight 376.3142
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 17:33:51 GMT 2025
Edited
by admin
on Wed Apr 02 17:33:51 GMT 2025
Record UNII
5M3983VDK6
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
5?-(Hydroxymethyl)-7,7?-dimethoxy[4,4?-bi-1,3-benzodioxole]-5-carboxylic acid
Systematic Name English
[4,4?-Bi-1,3-benzodioxole]-5-carboxylic acid, 5?-(hydroxymethyl)-7,7?-dimethoxy
Preferred Name English
Code System Code Type Description
FDA UNII
5M3983VDK6
Created by admin on Wed Apr 02 17:33:51 GMT 2025 , Edited by admin on Wed Apr 02 17:33:51 GMT 2025
PRIMARY
CAS
128142-41-6
Created by admin on Wed Apr 02 17:33:51 GMT 2025 , Edited by admin on Wed Apr 02 17:33:51 GMT 2025
PRIMARY
PUBCHEM
14577108
Created by admin on Wed Apr 02 17:33:51 GMT 2025 , Edited by admin on Wed Apr 02 17:33:51 GMT 2025
PRIMARY