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

Details

Stereochemistry MIXED
Molecular Formula C10H22O4S
Molecular Weight 238.344
Optical Activity UNSPECIFIED
Defined Stereocenters 0 / 2
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 1-Hydroxy-3,7-dimethyl-1-octanesulfonic acid

SMILES

CC(C)CCCC(C)CC(O)S(O)(=O)=O

InChI

InChIKey=UASCJGZMOHONDS-UHFFFAOYSA-N
InChI=1S/C10H22O4S/c1-8(2)5-4-6-9(3)7-10(11)15(12,13)14/h8-11H,4-7H2,1-3H3,(H,12,13,14)

HIDE SMILES / InChI

Molecular Formula C10H22O4S
Molecular Weight 238.344
Charge 0
Count
Stereochemistry MIXED
Additional Stereochemistry No
Defined Stereocenters 0 / 2
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Wed Apr 02 18:18:47 GMT 2025
Edited
by admin
on Wed Apr 02 18:18:47 GMT 2025
Record UNII
Q688UAU23F
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
1-Hydroxy-3,7-dimethyl-1-octanesulfonic acid
Systematic Name English
1-Octanesulfonic acid, 1-hydroxy-3,7-dimethyl-
Preferred Name English
Code System Code Type Description
PUBCHEM
111380
Created by admin on Wed Apr 02 18:18:47 GMT 2025 , Edited by admin on Wed Apr 02 18:18:47 GMT 2025
PRIMARY
FDA UNII
Q688UAU23F
Created by admin on Wed Apr 02 18:18:47 GMT 2025 , Edited by admin on Wed Apr 02 18:18:47 GMT 2025
PRIMARY
CAS
765218-75-5
Created by admin on Wed Apr 02 18:18:47 GMT 2025 , Edited by admin on Wed Apr 02 18:18:47 GMT 2025
PRIMARY
Related Record Type Details
SALT/SOLVATE -> PARENT