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Details

Stereochemistry RACEMIC
Molecular Formula C22H43O6S.Na
Molecular Weight 458.628
Optical Activity ( + / - )
Defined Stereocenters 0 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of SODIUM BUTYL 9-(SULFOOXY)STEARATE

SMILES

[Na+].CCCCCCCCCC(CCCCCCCC(=O)OCCCC)OS([O-])(=O)=O

InChI

InChIKey=RNLRJGXXUNHQLP-UHFFFAOYSA-M
InChI=1S/C22H44O6S.Na/c1-3-5-7-8-9-11-14-17-21(28-29(24,25)26)18-15-12-10-13-16-19-22(23)27-20-6-4-2;/h21H,3-20H2,1-2H3,(H,24,25,26);/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 C22H43O6S
Molecular Weight 435.638
Charge -1
Count
Stereochemistry RACEMIC
Additional Stereochemistry No
Defined Stereocenters 0 / 1
E/Z Centers 0
Optical Activity ( + / - )

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 11:44:55 GMT 2023
Edited
by admin
on Sat Dec 16 11:44:55 GMT 2023
Record UNII
NOR23K5F1C
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
SODIUM BUTYL 9-(SULFOOXY)STEARATE
Systematic Name English
SODIUM 1-BUTYL 9-(SULPHONATOOXY)OCTADECANOATE
Systematic Name English
OCTADECANOIC ACID, 9-(SULFOOXY)-, 1-BUTYL ESTER, SODIUM SALT (1:1)
Systematic Name English
OCTADECANOIC ACID, 9-HYDROXY-, BUTYL ESTER, SODIUM SULFATE
Common Name English
OCTADECANOIC ACID, 9-HYDROXY-, BUTYL ESTER, HYDROGEN SULFATE, SODIUM SALT
Systematic Name English
Code System Code Type Description
ECHA (EC/EINECS)
238-302-1
Created by admin on Sat Dec 16 11:44:55 GMT 2023 , Edited by admin on Sat Dec 16 11:44:55 GMT 2023
PRIMARY
EPA CompTox
DTXSID60881059
Created by admin on Sat Dec 16 11:44:55 GMT 2023 , Edited by admin on Sat Dec 16 11:44:55 GMT 2023
PRIMARY
CAS
14350-75-5
Created by admin on Sat Dec 16 11:44:55 GMT 2023 , Edited by admin on Sat Dec 16 11:44:55 GMT 2023
PRIMARY
FDA UNII
NOR23K5F1C
Created by admin on Sat Dec 16 11:44:55 GMT 2023 , Edited by admin on Sat Dec 16 11:44:55 GMT 2023
PRIMARY
PUBCHEM
23678412
Created by admin on Sat Dec 16 11:44:55 GMT 2023 , Edited by admin on Sat Dec 16 11:44:55 GMT 2023
PRIMARY
Related Record Type Details
PARENT -> SALT/SOLVATE