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, (Z)-

SMILES

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

InChI

InChIKey=WTRXKCNFPMTAJV-GHXNOFRVSA-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, (Z)-
Common Name English
CIS-EN YNE-DICYCLOETHER
Common Name English
(Z)-2-(2,4-HEXADIYNYLIDENE)-1,6-DIOXASPIRO(4.4)NON-3-ENE
Systematic Name English
CIS-EN-YN-DICYCLOETHER (CONSTITUENT OF CHAMOMILE) [DSC]
Common Name English
1,6-DIOXASPIRO(4.4)NON-3-ENE, 2-(2,4-HEXADIYNYLIDENE)-, (2Z)-
Systematic Name English
(Z)-TONGHAOSU
Common Name English
Code System Code Type Description
PUBCHEM
5352494
Created by admin on Sat Dec 16 09:53:50 GMT 2023 , Edited by admin on Sat Dec 16 09:53:50 GMT 2023
PRIMARY
CAS
4575-53-5
Created by admin on Sat Dec 16 09:53:50 GMT 2023 , Edited by admin on Sat Dec 16 09:53:50 GMT 2023
PRIMARY
FDA UNII
07I4HKZ4B8
Created by admin on Sat Dec 16 09:53:50 GMT 2023 , Edited by admin on Sat Dec 16 09:53:50 GMT 2023
PRIMARY