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Details

Stereochemistry ACHIRAL
Molecular Formula C9H6O2S2
Molecular Weight 210.273
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 3H-1,2-DITHIOL-3-ONE, 5-(4-HYDROXYPHENYL)-

SMILES

OC1=CC=C(C=C1)C2=CC(=O)SS2

InChI

InChIKey=XXDYQIINMXOSSO-UHFFFAOYSA-N
InChI=1S/C9H6O2S2/c10-7-3-1-6(2-4-7)8-5-9(11)13-12-8/h1-5,10H

HIDE SMILES / InChI

Approval Year

Unknown
149124
Name Type Language
DMADO
Preferred Name English
3H-1,2-DITHIOL-3-ONE, 5-(4-HYDROXYPHENYL)-
Systematic Name English
5-(4-HYDROXYPHENYL)-3H-1,2-DITHIOL-3-ONE
Systematic Name English
Code System Code Type Description
FDA UNII
RLM80AM7NW
Created by admin on Wed Apr 02 05:30:23 GMT 2025 , Edited by admin on Wed Apr 02 05:30:23 GMT 2025
PRIMARY
PUBCHEM
10488665
Created by admin on Wed Apr 02 05:30:23 GMT 2025 , Edited by admin on Wed Apr 02 05:30:23 GMT 2025
PRIMARY
CAS
133430-71-4
Created by admin on Wed Apr 02 05:30:23 GMT 2025 , Edited by admin on Wed Apr 02 05:30:23 GMT 2025
PRIMARY
PARENT (METABOLITE)
Structure of ANETHOLTRITHION
NIH
NCATS
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