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Details

Stereochemistry ACHIRAL
Molecular Formula C6H14O4S
Molecular Weight 182.238
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of Hexyl sulfate

SMILES

CCCCCCOS(O)(=O)=O

InChI

InChIKey=IDUWTCGPAPTSFB-UHFFFAOYSA-N
InChI=1S/C6H14O4S/c1-2-3-4-5-6-10-11(7,8)9/h2-6H2,1H3,(H,7,8,9)

HIDE SMILES / InChI

Molecular Formula C6H14O4S
Molecular Weight 182.238
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

Substance Class Chemical
Created
by admin
on Wed Apr 02 18:40:03 GMT 2025
Edited
by admin
on Wed Apr 02 18:40:03 GMT 2025
Record UNII
C8NR5E45D3
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
Sulfuric acid, monohexyl ester
Preferred Name English
Hexyl sulfate
Systematic Name English
Code System Code Type Description
CAS
3233-49-6
Created by admin on Wed Apr 02 18:40:03 GMT 2025 , Edited by admin on Wed Apr 02 18:40:03 GMT 2025
PRIMARY
FDA UNII
C8NR5E45D3
Created by admin on Wed Apr 02 18:40:03 GMT 2025 , Edited by admin on Wed Apr 02 18:40:03 GMT 2025
PRIMARY
EPA CompTox
DTXSID60862868
Created by admin on Wed Apr 02 18:40:03 GMT 2025 , Edited by admin on Wed Apr 02 18:40:03 GMT 2025
PRIMARY
PUBCHEM
75157
Created by admin on Wed Apr 02 18:40:03 GMT 2025 , Edited by admin on Wed Apr 02 18:40:03 GMT 2025
PRIMARY
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