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Details

Stereochemistry ACHIRAL
Molecular Formula C13H10OS2
Molecular Weight 246.348
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of ARCTINONE B

SMILES

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

InChI

InChIKey=UPOWHCBUDJLAIB-UHFFFAOYSA-N
InChI=1S/C13H10OS2/c1-3-4-10-5-6-12(15-10)13-8-7-11(16-13)9(2)14/h5-8H,1-2H3

HIDE SMILES / InChI

Molecular Formula C13H10OS2
Molecular Weight 246.348
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 GMT 2023
Edited
by admin
on Fri Dec 15 20:17:58 GMT 2023
Record UNII
40J0WA6649
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
ARCTINONE B
Common Name English
ETHANONE, 1-(5'-(1-PROPYN-1-YL)(2,2'-BITHIOPHEN)-5-YL)-
Systematic Name English
ETHANONE, 1-(5'-(1-PROPYNYL)(2,2'-BITHIOPHEN)-5-YL)-
Systematic Name English
Code System Code Type Description
FDA UNII
40J0WA6649
Created by admin on Fri Dec 15 20:17:58 GMT 2023 , Edited by admin on Fri Dec 15 20:17:58 GMT 2023
PRIMARY
CAS
102054-40-0
Created by admin on Fri Dec 15 20:17:58 GMT 2023 , Edited by admin on Fri Dec 15 20:17:58 GMT 2023
PRIMARY
PUBCHEM
10014817
Created by admin on Fri Dec 15 20:17:58 GMT 2023 , Edited by admin on Fri Dec 15 20:17:58 GMT 2023
PRIMARY
EPA CompTox
DTXSID70144566
Created by admin on Fri Dec 15 20:17:58 GMT 2023 , Edited by admin on Fri Dec 15 20:17:58 GMT 2023
PRIMARY
Related Record Type Details
PARENT -> CONSTITUENT ALWAYS PRESENT