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Details

Stereochemistry ACHIRAL
Molecular Formula C14H18O3
Molecular Weight 234.2909
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 1
Charge 0

SHOW SMILES / InChI
Structure of DIHYDROSORBICILLIN

SMILES

C\C=C\CCC(=O)C1=C(O)C(C)=C(O)C(C)=C1

InChI

InChIKey=QQBOFNUXGPKLIK-SNAWJCMRSA-N
InChI=1S/C14H18O3/c1-4-5-6-7-12(15)11-8-9(2)13(16)10(3)14(11)17/h4-5,8,16-17H,6-7H2,1-3H3/b5-4+

HIDE SMILES / InChI

Approval Year

Unknown
149124
Name Type Language
DIHYDROSORBICILLIN
Common Name English
2',3'-DIHYDROSORBICILLIN
Preferred Name English
4-HEXEN-1-ONE, 1-(2,4-DIHYDROXY-3,5-DIMETHYLPHENYL)-, (4E)-
Systematic Name English
4-HEXEN-1-ONE, 1-(2,4-DIHYDROXY-3,5-DIMETHYLPHENYL)-, (E)-
Systematic Name English
(4E)-1-(2,4-DIHYDROXY-3,5-DIMETHYLPHENYL)-4-HEXEN-1-ONE
Systematic Name English
Code System Code Type Description
CAS
79950-82-6
Created by admin on Wed Apr 02 13:40:13 GMT 2025 , Edited by admin on Wed Apr 02 13:40:13 GMT 2025
PRIMARY
FDA UNII
R5UQ4Q5HUQ
Created by admin on Wed Apr 02 13:40:13 GMT 2025 , Edited by admin on Wed Apr 02 13:40:13 GMT 2025
PRIMARY
PUBCHEM
21676140
Created by admin on Wed Apr 02 13:40:13 GMT 2025 , Edited by admin on Wed Apr 02 13:40:13 GMT 2025
PRIMARY
SUBSTANCE RECORD
Structure of DIHYDROSORBICILLIN
NIH
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