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Details

Stereochemistry RACEMIC
Molecular Formula C18H32O4
Molecular Weight 312.4443
Optical Activity ( + / - )
Defined Stereocenters 0 / 1
E/Z Centers 2
Charge 0

SHOW SMILES / InChI
Structure of 13-HYDROPEROXY-9,11-OCTADECADIENOIC ACID, (9Z,11Z)-

SMILES

CCCCCC(OO)\C=C/C=C\CCCCCCCC(O)=O

InChI

InChIKey=JDSRHVWSAMTSSN-YUKZMVOFSA-N
InChI=1S/C18H32O4/c1-2-3-11-14-17(22-21)15-12-9-7-5-4-6-8-10-13-16-18(19)20/h7,9,12,15,17,21H,2-6,8,10-11,13-14,16H2,1H3,(H,19,20)/b9-7-,15-12-

HIDE SMILES / InChI

Molecular Formula C18H32O4
Molecular Weight 312.4443
Charge 0
Count
Stereochemistry RACEMIC
Additional Stereochemistry No
Defined Stereocenters 0 / 1
E/Z Centers 2
Optical Activity ( + / - )

Approval Year

Substance Class Chemical
Created
by admin
on Tue Apr 01 16:41:03 GMT 2025
Edited
by admin
on Tue Apr 01 16:41:03 GMT 2025
Record UNII
A63G7H4PXD
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
13-HYDROPEROXY-9,11-OCTADECADIENOIC ACID, (9Z,11Z)-
Systematic Name English
9,11-OCTADECADIENOIC ACID, 13-HYDROPEROXY-, (Z,Z)-
Preferred Name English
Code System Code Type Description
CAS
28529-44-4
Created by admin on Tue Apr 01 16:41:03 GMT 2025 , Edited by admin on Tue Apr 01 16:41:03 GMT 2025
PRIMARY
FDA UNII
A63G7H4PXD
Created by admin on Tue Apr 01 16:41:03 GMT 2025 , Edited by admin on Tue Apr 01 16:41:03 GMT 2025
PRIMARY
PUBCHEM
162769983
Created by admin on Tue Apr 01 16:41:03 GMT 2025 , Edited by admin on Tue Apr 01 16:41:03 GMT 2025
PRIMARY
Related Record Type Details
ENANTIOMER -> RACEMATE