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Details

Stereochemistry RACEMIC
Molecular Formula C12H12O4
Molecular Weight 220.2213
Optical Activity ( + / - )
Defined Stereocenters 0 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 1,3-DIHYDRO-3-OXO-1-ISOBENZOFURANBUTANOIC ACID

SMILES

OC(=O)CCCC1OC(=O)C2=C1C=CC=C2

InChI

InChIKey=ZNPCTSQOTVUABI-UHFFFAOYSA-N
InChI=1S/C12H12O4/c13-11(14)7-3-6-10-8-4-1-2-5-9(8)12(15)16-10/h1-2,4-5,10H,3,6-7H2,(H,13,14)

HIDE SMILES / InChI

Approval Year

Name Type Language
BUTYLPHTHALIDE METABOLITE M5-2
Preferred Name English
1,3-DIHYDRO-3-OXO-1-ISOBENZOFURANBUTANOIC ACID
Systematic Name English
1-ISOBENZOFURANBUTANOIC ACID, 1,3-DIHYDRO-3-OXO-
Systematic Name English
Code System Code Type Description
PUBCHEM
139522978
Created by admin on Wed Apr 02 07:05:16 GMT 2025 , Edited by admin on Wed Apr 02 07:05:16 GMT 2025
PRIMARY
FDA UNII
WPM6RDW2DS
Created by admin on Wed Apr 02 07:05:16 GMT 2025 , Edited by admin on Wed Apr 02 07:05:16 GMT 2025
PRIMARY
CAS
1485081-25-1
Created by admin on Wed Apr 02 07:05:16 GMT 2025 , Edited by admin on Wed Apr 02 07:05:16 GMT 2025
PRIMARY