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

Details

Stereochemistry ACHIRAL
Molecular Formula C20H37O5S.Na
Molecular Weight 412.56
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 1
Charge 0

SHOW SMILES / InChI
Structure of SODIUM OLEOYL ISETHIONATE

SMILES

[Na+].CCCCCCCC\C=C/CCCCCCCC(=O)OCCS([O-])(=O)=O

InChI

InChIKey=MCFLGJDKSROECH-KVVVOXFISA-M
InChI=1S/C20H38O5S.Na/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20(21)25-18-19-26(22,23)24;/h9-10H,2-8,11-19H2,1H3,(H,22,23,24);/q;+1/p-1/b10-9-;

HIDE SMILES / InChI

Molecular Formula C20H37O5S
Molecular Weight 389.57
Charge -1
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 1
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 Fri Dec 15 17:49:21 GMT 2023
Edited
by admin
on Fri Dec 15 17:49:21 GMT 2023
Record UNII
216KS77J4M
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
SODIUM OLEOYL ISETHIONATE
INCI  
INCI  
Official Name English
Z-9-OCTADECENOIC ACID, 2-SULFOETHYL ESTER, SODIUM SALT
Common Name English
9-OCTADECENOIC ACID, 2-SULFOETHYL ESTER, SODIUM SALT
Common Name English
2-SULFOETHYL 9-OCTADECENOATE, SODIUM SALT
Common Name English
SODIUM OLEOYL ISETHIONATE [INCI]
Common Name English
Classification Tree Code System Code
EPA PESTICIDE CODE 47703
Created by admin on Fri Dec 15 17:49:21 GMT 2023 , Edited by admin on Fri Dec 15 17:49:21 GMT 2023
Code System Code Type Description
FDA UNII
216KS77J4M
Created by admin on Fri Dec 15 17:49:21 GMT 2023 , Edited by admin on Fri Dec 15 17:49:21 GMT 2023
PRIMARY
PUBCHEM
23665570
Created by admin on Fri Dec 15 17:49:21 GMT 2023 , Edited by admin on Fri Dec 15 17:49:21 GMT 2023
PRIMARY
CAS
142-15-4
Created by admin on Fri Dec 15 17:49:21 GMT 2023 , Edited by admin on Fri Dec 15 17:49:21 GMT 2023
PRIMARY
EPA CompTox
DTXSID8041454
Created by admin on Fri Dec 15 17:49:21 GMT 2023 , Edited by admin on Fri Dec 15 17:49:21 GMT 2023
PRIMARY
ECHA (EC/EINECS)
205-522-4
Created by admin on Fri Dec 15 17:49:21 GMT 2023 , Edited by admin on Fri Dec 15 17:49:21 GMT 2023
PRIMARY
Related Record Type Details
PARENT -> SALT/SOLVATE