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Details

Stereochemistry ACHIRAL
Molecular Formula C12H12O4
Molecular Weight 220.2213
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 1
Charge 0

SHOW SMILES / InChI
Structure of 3'-ACETOXYISOSAFROLE

SMILES

CC(=O)OC\C=C\C1=CC=C2OCOC2=C1

InChI

InChIKey=OILKJWNFGXIFBT-NSCUHMNNSA-N
InChI=1S/C12H12O4/c1-9(13)14-6-2-3-10-4-5-11-12(7-10)16-8-15-11/h2-5,7H,6,8H2,1H3/b3-2+

HIDE SMILES / InChI

Molecular Formula C12H12O4
Molecular Weight 220.2213
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 1
Optical Activity NONE

Approval Year

Substance Class Chemical
Created
by admin
on Fri Dec 15 18:32:15 GMT 2023
Edited
by admin
on Fri Dec 15 18:32:15 GMT 2023
Record UNII
M5W7LRE2RD
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
3'-ACETOXYISOSAFROLE
Systematic Name English
2-PROPEN-1-OL, 3-(1,3-BENZODIOXOL-5-YL)-, ACETATE
Systematic Name English
2-PROPEN-1-OL, 3-(1,3-BENZODIOXOL-5-YL)-, 1-ACETATE
Systematic Name English
Code System Code Type Description
FDA UNII
M5W7LRE2RD
Created by admin on Fri Dec 15 18:32:15 GMT 2023 , Edited by admin on Fri Dec 15 18:32:15 GMT 2023
PRIMARY
CAS
42461-91-6
Created by admin on Fri Dec 15 18:32:15 GMT 2023 , Edited by admin on Fri Dec 15 18:32:15 GMT 2023
PRIMARY
PUBCHEM
6443439
Created by admin on Fri Dec 15 18:32:15 GMT 2023 , Edited by admin on Fri Dec 15 18:32:15 GMT 2023
PRIMARY
CAS
172271-44-2
Created by admin on Fri Dec 15 18:32:15 GMT 2023 , Edited by admin on Fri Dec 15 18:32:15 GMT 2023
ALTERNATIVE