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

Details

Stereochemistry RACEMIC
Molecular Formula C13H12O2
Molecular Weight 200.2332
Optical Activity ( + / - )
Defined Stereocenters 0 / 1
E/Z Centers 1
Charge 0

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

SMILES

CC#CC#C\C=C1\OC2(CCCO2)C=C1

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

Approval Year

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 Dec 16 19:10:38 GMT 2023 , Edited by admin on Sat Dec 16 19:10:38 GMT 2023
PRIMARY
PUBCHEM
5352496
Created by admin on Sat Dec 16 19:10:38 GMT 2023 , Edited by admin on Sat Dec 16 19:10:38 GMT 2023
PRIMARY
FDA UNII
2G35N7UJFC
Created by admin on Sat Dec 16 19:10:38 GMT 2023 , Edited by admin on Sat Dec 16 19:10:38 GMT 2023
PRIMARY