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

Details

Stereochemistry ACHIRAL
Molecular Formula C16H31O5S.Na
Molecular Weight 358.469
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of SODIUM 1-TETRADECYL SULFONATOACETATE

SMILES

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

InChI

InChIKey=IIJXVXYJSCOOAR-UHFFFAOYSA-M
InChI=1S/C16H32O5S.Na/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-21-16(17)15-22(18,19)20;/h2-15H2,1H3,(H,18,19,20);/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 C16H31O5S
Molecular Weight 335.479
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 12:00:18 GMT 2023
Edited
by admin
on Sat Dec 16 12:00:18 GMT 2023
Record UNII
M01SB45HAQ
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
SODIUM 1-TETRADECYL SULFONATOACETATE
Systematic Name English
ACETIC ACID, SULFO-, 1-TETRADECYL ESTER, SODIUM SALT
Common Name English
SODIUM,2-OXO-2-TETRADECOXYETHANESULFONATE
Systematic Name English
ACETIC ACID, 2-SULFO-, 1-TETRADECYL ESTER, SODIUM SALT (1:1)
Common Name English
Code System Code Type Description
CAS
29462-73-5
Created by admin on Sat Dec 16 12:00:18 GMT 2023 , Edited by admin on Sat Dec 16 12:00:18 GMT 2023
PRIMARY
ECHA (EC/EINECS)
249-650-9
Created by admin on Sat Dec 16 12:00:18 GMT 2023 , Edited by admin on Sat Dec 16 12:00:18 GMT 2023
PRIMARY
EPA CompTox
DTXSID5067473
Created by admin on Sat Dec 16 12:00:18 GMT 2023 , Edited by admin on Sat Dec 16 12:00:18 GMT 2023
PRIMARY
FDA UNII
M01SB45HAQ
Created by admin on Sat Dec 16 12:00:18 GMT 2023 , Edited by admin on Sat Dec 16 12:00:18 GMT 2023
PRIMARY
PUBCHEM
23687238
Created by admin on Sat Dec 16 12:00:18 GMT 2023 , Edited by admin on Sat Dec 16 12:00:18 GMT 2023
PRIMARY