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Details

Stereochemistry RACEMIC
Molecular Formula C13H12O2
Molecular Weight 200.2337
Optical Activity ( + / - )
Defined Stereocenters 0 / 1
E/Z Centers 1
Charge 0

SHOW SMILES / InChI
Structure of TONGHAOSU, (E)-

SMILES

CC#CC#C/C(/[H])=C/1\C=CC2(CCCO2)O1

InChI

InChIKey=WTRXKCNFPMTAJV-KPKJPENVSA-N
InChI=1S/C13H12O2/c1-2-3-4-5-7-12-8-10-13(15-12)9-6-11-14-13/h7-8,10H,6,9,11H2,1H3/b12-7+

HIDE SMILES / InChI

Molecular Formula C13H12O2
Molecular Weight 200.2337
Charge 0
Count
Stereochemistry RACEMIC
Additional Stereochemistry No
Defined Stereocenters 0 / 1
E/Z Centers 1
Optical Activity ( + / - )

Approval Year

Substance Class Chemical
Created
by admin
on Sat Jun 26 00:35:14 UTC 2021
Edited
by admin
on Sat Jun 26 00:35:14 UTC 2021
Record UNII
2G35N7UJFC
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
TONGHAOSU, (E)-
Common Name English
(E)-TONGHAOSU
Common Name English
TRANS-ENYNE-DICYCLOETHER
Common Name English
TRANS-EN-YN-DICYCLOETHER (CONSTITUENT OF CHAMOMILE) [DSC]
Common Name English
1,6-DIOXASPIRO(4.4)NON-3-ENE, 2-(2,4-HEXADIYN-1-YLIDENE)-, (2E)-
Systematic Name English
(E)-EN-YN-DICYCLOETHER
Common Name English
Code System Code Type Description
CAS
50257-98-2
Created by admin on Sat Jun 26 00:35:14 UTC 2021 , Edited by admin on Sat Jun 26 00:35:14 UTC 2021
PRIMARY
PUBCHEM
5352496
Created by admin on Sat Jun 26 00:35:14 UTC 2021 , Edited by admin on Sat Jun 26 00:35:14 UTC 2021
PRIMARY
FDA UNII
2G35N7UJFC
Created by admin on Sat Jun 26 00:35:14 UTC 2021 , Edited by admin on Sat Jun 26 00:35:14 UTC 2021
PRIMARY
Related Record Type Details
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