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Details

Stereochemistry RACEMIC
Molecular Formula C12H12O3
Molecular Weight 204.2219
Optical Activity ( + / - )
Defined Stereocenters 0 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 1(3H)-ISOBENZOFURANONE, 3-(3-OXOBUTYL)-

SMILES

CC(=O)CCC1OC(=O)C2=C1C=CC=C2

InChI

InChIKey=QDCRZMFQANAANQ-UHFFFAOYSA-N
InChI=1S/C12H12O3/c1-8(13)6-7-11-9-4-2-3-5-10(9)12(14)15-11/h2-5,11H,6-7H2,1H3

HIDE SMILES / InChI

Approval Year

Unknown
139594
Name Type Language
1(3H)-ISOBENZOFURANONE, 3-(3-OXOBUTYL)-
Systematic Name English
BUTYLPHTHALIDE METABOLITE M2
Common Name English
3-(3-OXOBUTYL)-1(3H)-ISOBENZOFURANONE
Systematic Name English
Code System Code Type Description
CAS
1485081-46-6
Created by admin on Sat Dec 16 16:48:12 GMT 2023 , Edited by admin on Sat Dec 16 16:48:12 GMT 2023
PRIMARY
FDA UNII
47HX9CW64G
Created by admin on Sat Dec 16 16:48:12 GMT 2023 , Edited by admin on Sat Dec 16 16:48:12 GMT 2023
PRIMARY
PUBCHEM
139522971
Created by admin on Sat Dec 16 16:48:12 GMT 2023 , Edited by admin on Sat Dec 16 16:48:12 GMT 2023
PRIMARY
PARENT (METABOLITE)
Structure of BUTYLPHTHALIDE
NIH
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