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

Details

Stereochemistry ACHIRAL
Molecular Formula C12H23O5S.Na
Molecular Weight 302.363
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of SODIUM DECYL SULFOACETATE

SMILES

[Na+].CCCCCCCCCCOC(=O)CS([O-])(=O)=O

InChI

InChIKey=NCGPNILRARPETC-UHFFFAOYSA-M
InChI=1S/C12H24O5S.Na/c1-2-3-4-5-6-7-8-9-10-17-12(13)11-18(14,15)16;/h2-11H2,1H3,(H,14,15,16);/q;+1/p-1

HIDE SMILES / InChI

Molecular Formula C12H23O5S
Molecular Weight 279.373
Charge -1
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

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

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 12:26:00 GMT 2023
Edited
by admin
on Sat Dec 16 12:26:00 GMT 2023
Record UNII
97PK2UBO1L
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
SODIUM DECYL SULFOACETATE
Systematic Name English
SODIUM,2-DECOXY-2-OXOETHANESULFONATE
Systematic Name English
ACETIC ACID, 2-SULFO-, DECYL ESTER, SODIUM SALT (1:1)
Common Name English
ACETIC ACID, SULFO-, 1-DECYL ESTER, SODIUM SALT
Common Name English
Code System Code Type Description
EPA CompTox
DTXSID1067469
Created by admin on Sat Dec 16 12:26:00 GMT 2023 , Edited by admin on Sat Dec 16 12:26:00 GMT 2023
PRIMARY
FDA UNII
97PK2UBO1L
Created by admin on Sat Dec 16 12:26:00 GMT 2023 , Edited by admin on Sat Dec 16 12:26:00 GMT 2023
PRIMARY
PUBCHEM
23687237
Created by admin on Sat Dec 16 12:26:00 GMT 2023 , Edited by admin on Sat Dec 16 12:26:00 GMT 2023
PRIMARY
ECHA (EC/EINECS)
249-629-4
Created by admin on Sat Dec 16 12:26:00 GMT 2023 , Edited by admin on Sat Dec 16 12:26:00 GMT 2023
PRIMARY
CAS
29444-28-8
Created by admin on Sat Dec 16 12:26:00 GMT 2023 , Edited by admin on Sat Dec 16 12:26:00 GMT 2023
PRIMARY