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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 1-Octanesulfonic acid, 1-hydroxy-3,7-dimethyl-, monosodium salt

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

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 C10H21O4S
Molecular Weight 237.336
Charge -1
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 Sat Dec 16 18:28:06 GMT 2023
Edited
by admin
on Sat Dec 16 18:28:06 GMT 2023
Record UNII
VGP7P67H2S
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
1-Octanesulfonic acid, 1-hydroxy-3,7-dimethyl-, monosodium salt
Systematic Name English
Sodium 1-hydroxy-3,7-dimethyloctanesulfonate
Systematic 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 Sat Dec 16 18:28:07 GMT 2023 , Edited by admin on Sat Dec 16 18:28:07 GMT 2023
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FDA UNII
VGP7P67H2S
Created by admin on Sat Dec 16 18:28:07 GMT 2023 , Edited by admin on Sat Dec 16 18:28:07 GMT 2023
PRIMARY
PUBCHEM
23668756
Created by admin on Sat Dec 16 18:28:07 GMT 2023 , Edited by admin on Sat Dec 16 18:28:07 GMT 2023
PRIMARY
CAS
68845-22-7
Created by admin on Sat Dec 16 18:28:07 GMT 2023 , Edited by admin on Sat Dec 16 18:28:07 GMT 2023
PRIMARY