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

Details

Stereochemistry ACHIRAL
Molecular Formula C31H56O12S
Molecular Weight 652.834
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 23-(4-Nonylphenoxy)-3,6,9,12,15,18,21-heptaoxatricosyl hydrogen sulfate

SMILES

CCCCCCCCCC1=CC=C(OCCOCCOCCOCCOCCOCCOCCOCCOS(O)(=O)=O)C=C1

InChI

InChIKey=AJMIMOSFEVIRIA-UHFFFAOYSA-N
InChI=1S/C31H56O12S/c1-2-3-4-5-6-7-8-9-30-10-12-31(13-11-30)42-28-26-40-24-22-38-20-18-36-16-14-35-15-17-37-19-21-39-23-25-41-27-29-43-44(32,33)34/h10-13H,2-9,14-29H2,1H3,(H,32,33,34)

HIDE SMILES / InChI

Molecular Formula C31H56O12S
Molecular Weight 652.834
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 Wed Apr 02 19:28:24 GMT 2025
Edited
by admin
on Wed Apr 02 19:28:24 GMT 2025
Record UNII
NF4444P5EQ
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
23-(4-Nonylphenoxy)-3,6,9,12,15,18,21-heptaoxatricosyl hydrogen sulfate
Systematic Name English
2-[2-[2-[2-[2-[2-[2-[2-(4-Nonylphenoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl hydrogen sulfate
Preferred Name English
3,6,9,12,15,18,21-Heptaoxatricosan-1-ol, 23-(4-nonylphenoxy)-, 1-(hydrogen sulfate)
Systematic Name English
Code System Code Type Description
EPA CompTox
DTXSID00917048
Created by admin on Wed Apr 02 19:28:24 GMT 2025 , Edited by admin on Wed Apr 02 19:28:24 GMT 2025
PRIMARY
FDA UNII
NF4444P5EQ
Created by admin on Wed Apr 02 19:28:24 GMT 2025 , Edited by admin on Wed Apr 02 19:28:24 GMT 2025
PRIMARY
PUBCHEM
20831814
Created by admin on Wed Apr 02 19:28:24 GMT 2025 , Edited by admin on Wed Apr 02 19:28:24 GMT 2025
PRIMARY
CAS
93923-72-9
Created by admin on Wed Apr 02 19:28:24 GMT 2025 , Edited by admin on Wed Apr 02 19:28:24 GMT 2025
PRIMARY