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Details

Stereochemistry MIXED
Molecular Formula C10H21O4S.Na
Molecular Weight 260.326
Optical Activity UNSPECIFIED
Defined Stereocenters 0 / 2
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of Sodium 1-hydroxy-3,7-dimethyloctanesulfonate

SMILES

[Na+].CC(C)CCCC(C)CC(O)S([O-])(=O)=O

InChI

InChIKey=VEXXEVGEYIMTSB-UHFFFAOYSA-M
InChI=1S/C10H22O4S.Na/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);/q;+1/p-1

HIDE SMILES / InChI

Approval Year

Unknown
149124
Name Type Language
Sodium 1-hydroxy-3,7-dimethyloctanesulfonate
Systematic Name English
1-Octanesulfonic acid, 1-hydroxy-3,7-dimethyl-, monosodium salt
Preferred Name English
Sodium 1-hydroxy-3,7-dimethyloctanesulphonate
Systematic Name English
1-Octanesulfonic acid, 1-hydroxy-3,7-dimethyl-, sodium salt (1:1)
Systematic Name English
Code System Code Type Description
EPA CompTox
DTXSID40887514
Created by admin on Wed Apr 02 11:18:03 GMT 2025 , Edited by admin on Wed Apr 02 11:18:03 GMT 2025
PRIMARY
FDA UNII
VGP7P67H2S
Created by admin on Wed Apr 02 11:18:03 GMT 2025 , Edited by admin on Wed Apr 02 11:18:03 GMT 2025
PRIMARY
PUBCHEM
23668756
Created by admin on Wed Apr 02 11:18:03 GMT 2025 , Edited by admin on Wed Apr 02 11:18:03 GMT 2025
PRIMARY
CAS
68845-22-7
Created by admin on Wed Apr 02 11:18:03 GMT 2025 , Edited by admin on Wed Apr 02 11:18:03 GMT 2025
PRIMARY
NIH
NCATS
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