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Details

Stereochemistry RACEMIC
Molecular Formula C21H41O5S.Na
Molecular Weight 428.602
Optical Activity ( + / - )
Defined Stereocenters 0 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of Sodium 1-propyl 9-sulfonatooctadecanoate

SMILES

[Na+].CCCCCCCCCC(CCCCCCCC(=O)OCCC)S([O-])(=O)=O

InChI

InChIKey=ADSZGMHJUZRRGR-UHFFFAOYSA-M
InChI=1S/C21H42O5S.Na/c1-3-5-6-7-8-10-13-16-20(27(23,24)25)17-14-11-9-12-15-18-21(22)26-19-4-2;/h20H,3-19H2,1-2H3,(H,23,24,25);/q;+1/p-1

HIDE SMILES / InChI

Approval Year

Unknown
149124
Name Type Language
Sodium 1-propyl 9-sulfonatooctadecanoate
Systematic Name English
Octadecanoic acid, 9-sulfo-, 1-propyl ester, sodium salt (1:1)
Preferred Name English
Sodium 1-propyl 9(or 10)-sulphonatooctadecanoate
Systematic Name English
Octadecanoic acid,9(or 10)-sulfo-,1-propyl ester, sodium salt (1:1)
Systematic Name English
Code System Code Type Description
PUBCHEM
23668651
Created by admin on Wed Apr 02 20:04:24 GMT 2025 , Edited by admin on Wed Apr 02 20:04:24 GMT 2025
PRIMARY
FDA UNII
X93KL4Q4KW
Created by admin on Wed Apr 02 20:04:24 GMT 2025 , Edited by admin on Wed Apr 02 20:04:24 GMT 2025
PRIMARY
CAS
68425-62-7
Created by admin on Wed Apr 02 20:04:24 GMT 2025 , Edited by admin on Wed Apr 02 20:04:24 GMT 2025
NON-SPECIFIC SUBSTITUTION
CAS
1135341-24-0
Created by admin on Wed Apr 02 20:04:24 GMT 2025 , Edited by admin on Wed Apr 02 20:04:24 GMT 2025
PRIMARY
NIH
NCATS
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