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

Details

Stereochemistry ACHIRAL
Molecular Formula C20H40O5S
Molecular Weight 392.594
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of STEAROYL ISETHIONIC ACID

SMILES

CCCCCCCCCCCCCCCCCC(=O)OCCS(O)(=O)=O

InChI

InChIKey=WSRXLNLZLUNDKZ-UHFFFAOYSA-N
InChI=1S/C20H40O5S/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/h2-19H2,1H3,(H,22,23,24)

HIDE SMILES / InChI

Molecular Formula C20H40O5S
Molecular Weight 392.594
Charge 0
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 18:48:57 GMT 2023
Edited
by admin
on Sat Dec 16 18:48:57 GMT 2023
Record UNII
PH7T8GR6C3
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
STEAROYL ISETHIONIC ACID
Common Name English
2-SULFOETHYL OCTADECANOATE
Systematic Name English
OCTADECANOIC ACID 2-SULFOETHYL ESTER
Systematic Name English
OCTADECANOIC ACID, 2-SULFOETHYL ESTER
Systematic Name English
STEAROYL ISETHIONATE
Common Name English
Code System Code Type Description
CAS
56022-46-9
Created by admin on Sat Dec 16 18:48:57 GMT 2023 , Edited by admin on Sat Dec 16 18:48:57 GMT 2023
PRIMARY
FDA UNII
PH7T8GR6C3
Created by admin on Sat Dec 16 18:48:57 GMT 2023 , Edited by admin on Sat Dec 16 18:48:57 GMT 2023
PRIMARY
PUBCHEM
122456
Created by admin on Sat Dec 16 18:48:57 GMT 2023 , Edited by admin on Sat Dec 16 18:48:57 GMT 2023
PRIMARY
Related Record Type Details
SALT/SOLVATE -> PARENT
SALT/SOLVATE -> PARENT