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

Details

Stereochemistry ACHIRAL
Molecular Formula C10H19O5S.H4N
Molecular Weight 269.358
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of AMMONIUM CAPRYLOYL ISETHIONATE

SMILES

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

InChI

InChIKey=YLSVYMSVWDHYQA-UHFFFAOYSA-N
InChI=1S/C10H20O5S.H3N/c1-2-3-4-5-6-7-10(11)15-8-9-16(12,13)14;/h2-9H2,1H3,(H,12,13,14);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 C10H19O5S
Molecular Weight 251.32
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
H8ZSB1T2OB
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
AMMONIUM CAPRYLOYL ISETHIONATE
Systematic Name English
Code System Code Type Description
PUBCHEM
76972373
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
FDA UNII
H8ZSB1T2OB
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