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Details

Stereochemistry RACEMIC
Molecular Formula C20H20O7
Molecular Weight 372.3686
Optical Activity ( + / - )
Defined Stereocenters 0 / 1
E/Z Centers 1
Charge 0

SHOW SMILES / InChI
Structure of 2-BUTANONE, 3-HYDROPEROXY-4-(2-HYDROXY-3-(3-(4-HYDROXYPHENYL)-1-OXO-2-PROPEN-1-YL)-6-METHOXYPHENYL)-

SMILES

COC1=C(CC(OO)C(C)=O)C(O)=C(C=C1)C(=O)\C=C\C2=CC=C(O)C=C2

InChI

InChIKey=ALHVYGZAIUUWKW-WEVVVXLNSA-N
InChI=1S/C20H20O7/c1-12(21)19(27-25)11-16-18(26-2)10-8-15(20(16)24)17(23)9-5-13-3-6-14(22)7-4-13/h3-10,19,22,24-25H,11H2,1-2H3/b9-5+

HIDE SMILES / InChI

Molecular Formula C20H20O7
Molecular Weight 372.3686
Charge 0
Count
Stereochemistry RACEMIC
Additional Stereochemistry No
Defined Stereocenters 0 / 1
E/Z Centers 1
Optical Activity ( + / - )

Approval Year

Substance Class Chemical
Created
by admin
on Wed Apr 02 05:58:04 GMT 2025
Edited
by admin
on Wed Apr 02 05:58:04 GMT 2025
Record UNII
A59HT13RG9
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
2-BUTANONE, 3-HYDROPEROXY-4-(2-HYDROXY-3-(3-(4-HYDROXYPHENYL)-1-OXO-2-PROPEN-1-YL)-6-METHOXYPHENYL)-
Preferred Name English
Code System Code Type Description
FDA UNII
A59HT13RG9
Created by admin on Wed Apr 02 05:58:04 GMT 2025 , Edited by admin on Wed Apr 02 05:58:04 GMT 2025
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PUBCHEM
165412031
Created by admin on Wed Apr 02 05:58:04 GMT 2025 , Edited by admin on Wed Apr 02 05:58:04 GMT 2025
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