U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

Details

Stereochemistry RACEMIC
Molecular Formula C22H44O6S
Molecular Weight 436.646
Optical Activity ( + / - )
Defined Stereocenters 0 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of ISOBUTYL 9-(SULFOOXY)STEARATE

SMILES

CCCCCCCCCC(CCCCCCCC(=O)OCC(C)C)OS(O)(=O)=O

InChI

InChIKey=QUJNURRKZHKEQH-UHFFFAOYSA-N
InChI=1S/C22H44O6S/c1-4-5-6-7-8-10-13-16-21(28-29(24,25)26)17-14-11-9-12-15-18-22(23)27-19-20(2)3/h20-21H,4-19H2,1-3H3,(H,24,25,26)

HIDE SMILES / InChI

Molecular Formula C22H44O6S
Molecular Weight 436.646
Charge 0
Count
Stereochemistry RACEMIC
Additional Stereochemistry No
Defined Stereocenters 0 / 1
E/Z Centers 0
Optical Activity ( + / - )

Approval Year

Substance Class Chemical
Created
by admin
on Wed Apr 02 10:33:02 GMT 2025
Edited
by admin
on Wed Apr 02 10:33:02 GMT 2025
Record UNII
HE99UV27DO
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
ISOBUTYL 9-(SULFOOXY)STEARATE
Systematic Name English
OCTADECANOIC ACID, 9-(SULFOOXY)-, 1-(2-METHYLPROPYL) ESTER
Preferred Name English
Code System Code Type Description
CAS
97403-96-8
Created by admin on Wed Apr 02 10:33:02 GMT 2025 , Edited by admin on Wed Apr 02 10:33:02 GMT 2025
PRIMARY
FDA UNII
HE99UV27DO
Created by admin on Wed Apr 02 10:33:02 GMT 2025 , Edited by admin on Wed Apr 02 10:33:02 GMT 2025
PRIMARY
PUBCHEM
3024872
Created by admin on Wed Apr 02 10:33:02 GMT 2025 , Edited by admin on Wed Apr 02 10:33:02 GMT 2025
PRIMARY