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

Details

Stereochemistry ACHIRAL
Molecular Formula C20H39O5S.H4N
Molecular Weight 409.624
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of AMMONIUM STEAROYL ISETHIONATE

SMILES

[NH4+].CCCCCCCCCCCCCCCCCC(=O)OCCS([O-])(=O)=O

InChI

InChIKey=MXOPOPYUHJENMV-UHFFFAOYSA-N
InChI=1S/C20H40O5S.H3N/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);1H3

HIDE SMILES / InChI

Molecular Formula H4N
Molecular Weight 18.0385
Charge 1
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Molecular Formula C20H39O5S
Molecular Weight 391.586
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 01:50:35 GMT 2023
Edited
by admin
on Sat Dec 16 01:50:35 GMT 2023
Record UNII
L19377V0JQ
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
AMMONIUM STEAROYL ISETHIONATE
Systematic Name English
OCTADECANOIC ACID, 2-SULFOETHYL ESTER, AMMONIUM SALT (1:1)
Systematic Name English
Code System Code Type Description
FDA UNII
L19377V0JQ
Created by admin on Sat Dec 16 01:50:35 GMT 2023 , Edited by admin on Sat Dec 16 01:50:35 GMT 2023
PRIMARY
CAS
204770-55-8
Created by admin on Sat Dec 16 01:50:35 GMT 2023 , Edited by admin on Sat Dec 16 01:50:35 GMT 2023
PRIMARY
PUBCHEM
76961703
Created by admin on Sat Dec 16 01:50:35 GMT 2023 , Edited by admin on Sat Dec 16 01:50:35 GMT 2023
PRIMARY
Related Record Type Details
PARENT -> SALT/SOLVATE