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

Details

Stereochemistry ACHIRAL
Molecular Formula C6H13O4S.Na
Molecular Weight 204.22
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of Sodium hexyl sulfate

SMILES

[Na+].CCCCCCOS([O-])(=O)=O

InChI

InChIKey=WSVLUYNDHYCZGD-UHFFFAOYSA-M
InChI=1S/C6H14O4S.Na/c1-2-3-4-5-6-10-11(7,8)9;/h2-6H2,1H3,(H,7,8,9);/q;+1/p-1

HIDE SMILES / InChI
Molecular Formula Na
Molecular Weight 22.9898
Charge 1
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE
Molecular Formula C6H13O4S
Molecular Weight 181.23
Charge -1
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

Unknown
139594
Substance Class Chemical
Created
by admin
on Sat Dec 16 12:19:00 GMT 2023
Edited
by admin
on Sat Dec 16 12:19:00 GMT 2023
Record UNII
DH4M2TQS74
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
Sodium hexyl sulfate
Systematic Name English
Sulfuric acid, monohexyl ester, sodium salt (1:1)
Systematic Name English
Sulfuric acid, monohexyl ester, sodium salt
Systematic Name English
Sodium n-hexyl sulfate
Systematic Name English
Code System Code Type Description
PUBCHEM
23678858
Created by admin on Sat Dec 16 12:19:00 GMT 2023 , Edited by admin on Sat Dec 16 12:19:00 GMT 2023
PRIMARY
FDA UNII
DH4M2TQS74
Created by admin on Sat Dec 16 12:19:00 GMT 2023 , Edited by admin on Sat Dec 16 12:19:00 GMT 2023
PRIMARY
EPA CompTox
DTXSID6062250
Created by admin on Sat Dec 16 12:19:00 GMT 2023 , Edited by admin on Sat Dec 16 12:19:00 GMT 2023
PRIMARY
CAS
2207-98-9
Created by admin on Sat Dec 16 12:19:00 GMT 2023 , Edited by admin on Sat Dec 16 12:19:00 GMT 2023
PRIMARY
ECHA (EC/EINECS)
218-628-0
Created by admin on Sat Dec 16 12:19:00 GMT 2023 , Edited by admin on Sat Dec 16 12:19:00 GMT 2023
PRIMARY
Related Record Type Details
Structure of Hexyl sulfate
PARENT -> SALT/SOLVATE
NIH
NCATS
PRIVACY ACT
ACCESSIBILITY
DISCLAIMER
HHS VULNERABILITY DISCLOSURE
For language access assistance, contact the NCATS Public Information Officer
National Center for Advancing Translational Sciences (NCATS),
6701 Democracy Boulevard, Bethesda MD 20892-4874 • 301-594-8966