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

Details

Stereochemistry ACHIRAL
Molecular Formula C12H23O5S.H4N
Molecular Weight 297.411
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of AMMONIUM CAPROYL ISETHIONATE

SMILES

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

InChI

InChIKey=QNMNINICCPGAAU-UHFFFAOYSA-N
InChI=1S/C12H24O5S.H3N/c1-2-3-4-5-6-7-8-9-12(13)17-10-11-18(14,15)16;/h2-11H2,1H3,(H,14,15,16);1H3

HIDE SMILES / InChI

Approval Year

Name Type Language
AMMONIUM CAPROYL ISETHIONATE
Preferred Name English
Code System Code Type Description
PUBCHEM
76969242
Created by admin on Mon Mar 31 20:51:43 GMT 2025 , Edited by admin on Mon Mar 31 20:51:43 GMT 2025
PRIMARY
FDA UNII
PRO198YJ03
Created by admin on Mon Mar 31 20:51:43 GMT 2025 , Edited by admin on Mon Mar 31 20:51:43 GMT 2025
PRIMARY