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Details

Stereochemistry ACHIRAL
Molecular Formula C15H18O2S
Molecular Weight 262.367
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 2-(2-HEPTYNYLTHIO)-PHENOL ACETATE

SMILES

CCCCC#CCSC1=C(OC(C)=O)C=CC=C1

InChI

InChIKey=GXMBHQRROXQUJS-UHFFFAOYSA-N
InChI=1S/C15H18O2S/c1-3-4-5-6-9-12-18-15-11-8-7-10-14(15)17-13(2)16/h7-8,10-11H,3-5,12H2,1-2H3

HIDE SMILES / InChI

Approval Year

Unknown
149124
Name Type Language
APHS
Preferred Name English
2-(2-HEPTYNYLTHIO)-PHENOL ACETATE
Systematic Name English
2-(2-HEPTYNYLTHIO)PHENOL ACETATE
Systematic Name English
(2-HEPT-2-YNYLSULFANYLPHENYL) ETHANOATE
Systematic Name English
PHENOL, 2-(2-HEPTYN-1-YLTHIO)-, 1-ACETATE
Systematic Name English
Code System Code Type Description
FDA UNII
GNC4EUY582
Created by admin on Wed Apr 02 06:32:34 GMT 2025 , Edited by admin on Wed Apr 02 06:32:34 GMT 2025
PRIMARY
PUBCHEM
2211
Created by admin on Wed Apr 02 06:32:34 GMT 2025 , Edited by admin on Wed Apr 02 06:32:34 GMT 2025
PRIMARY
EPA CompTox
DTXSID40175069
Created by admin on Wed Apr 02 06:32:34 GMT 2025 , Edited by admin on Wed Apr 02 06:32:34 GMT 2025
PRIMARY
CAS
209125-28-0
Created by admin on Wed Apr 02 06:32:34 GMT 2025 , Edited by admin on Wed Apr 02 06:32:34 GMT 2025
PRIMARY
NIH
NCATS
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