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Details

Stereochemistry ACHIRAL
Molecular Formula C13H10O2S2
Molecular Weight 262.347
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of ARCTINONE A

SMILES

CC#CC1=CC=C(S1)C2=CC=C(S2)C(=O)CO

InChI

InChIKey=SZHJGTIWJLCSCZ-UHFFFAOYSA-N
InChI=1S/C13H10O2S2/c1-2-3-9-4-5-12(16-9)13-7-6-11(17-13)10(15)8-14/h4-7,14H,8H2,1H3

HIDE SMILES / InChI

Molecular Formula C13H10O2S2
Molecular Weight 262.347
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 Fri Dec 15 20:17:58 UTC 2023
Edited
by admin
on Fri Dec 15 20:17:58 UTC 2023
Record UNII
A50WLS49HI
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
ARCTINONE A
Common Name English
ETHANONE, 2-HYDROXY-1-(5'-(1-PROPYNYL)(2,2'-BITHIOPHEN)-5-YL)-
Systematic Name English
ETHANONE, 2-HYDROXY-1-(5'-(1-PROPYN-1-YL)(2,2'-BITHIOPHEN)-5-YL)-
Systematic Name English
Code System Code Type Description
EPA CompTox
DTXSID30144567
Created by admin on Fri Dec 15 20:17:58 UTC 2023 , Edited by admin on Fri Dec 15 20:17:58 UTC 2023
PRIMARY
PUBCHEM
71587386
Created by admin on Fri Dec 15 20:17:58 UTC 2023 , Edited by admin on Fri Dec 15 20:17:58 UTC 2023
PRIMARY
FDA UNII
A50WLS49HI
Created by admin on Fri Dec 15 20:17:58 UTC 2023 , Edited by admin on Fri Dec 15 20:17:58 UTC 2023
PRIMARY
CAS
102054-41-1
Created by admin on Fri Dec 15 20:17:58 UTC 2023 , Edited by admin on Fri Dec 15 20:17:58 UTC 2023
PRIMARY
Related Record Type Details
PARENT -> CONSTITUENT ALWAYS PRESENT