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Details

Stereochemistry RACEMIC
Molecular Formula C12H12O5
Molecular Weight 236.2207
Optical Activity ( + / - )
Defined Stereocenters 2 / 2
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 1'-ACETOXY-2',3'-EPOXYSAFROLE, (R,S)-(±)-

SMILES

CC(=O)O[C@@H]([C@@H]1CO1)C2=CC3=C(OCO3)C=C2

InChI

InChIKey=JFSMDGVYNUEECN-NWDGAFQWSA-N
InChI=1S/C12H12O5/c1-7(13)17-12(11-5-14-11)8-2-3-9-10(4-8)16-6-15-9/h2-4,11-12H,5-6H2,1H3/t11-,12+/m0/s1

HIDE SMILES / InChI

Approval Year

Name Type Language
1,3-BENZODIOXOLE-5-METHANOL, .ALPHA.-2-OXIRANYL-, 5-ACETATE, (R,S)-REL-
Preferred Name English
1'-ACETOXY-2',3'-EPOXYSAFROLE, (R,S)-(±)-
Common Name English
Code System Code Type Description
CAS
1887131-03-4
Created by admin on Tue Apr 01 18:33:22 GMT 2025 , Edited by admin on Tue Apr 01 18:33:22 GMT 2025
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FDA UNII
B4FET9VK5U
Created by admin on Tue Apr 01 18:33:22 GMT 2025 , Edited by admin on Tue Apr 01 18:33:22 GMT 2025
PRIMARY
PUBCHEM
162623514
Created by admin on Tue Apr 01 18:33:22 GMT 2025 , Edited by admin on Tue Apr 01 18:33:22 GMT 2025
PRIMARY