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

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=CC=CC=C1OC(C)=O

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

Molecular Formula C15H18O2S
Molecular Weight 262.367
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 Sat Dec 16 15:42:29 GMT 2023
Edited
by admin
on Sat Dec 16 15:42:29 GMT 2023
Record UNII
GNC4EUY582
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
2-(2-HEPTYNYLTHIO)-PHENOL ACETATE
Systematic Name English
2-(2-HEPTYNYLTHIO)PHENOL ACETATE
Systematic Name English
(2-HEPT-2-YNYLSULFANYLPHENYL) ETHANOATE
Systematic Name English
APHS
Common 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 Sat Dec 16 15:42:29 GMT 2023 , Edited by admin on Sat Dec 16 15:42:29 GMT 2023
PRIMARY
PUBCHEM
2211
Created by admin on Sat Dec 16 15:42:29 GMT 2023 , Edited by admin on Sat Dec 16 15:42:29 GMT 2023
PRIMARY
EPA CompTox
DTXSID40175069
Created by admin on Sat Dec 16 15:42:29 GMT 2023 , Edited by admin on Sat Dec 16 15:42:29 GMT 2023
PRIMARY
CAS
209125-28-0
Created by admin on Sat Dec 16 15:42:29 GMT 2023 , Edited by admin on Sat Dec 16 15:42:29 GMT 2023
PRIMARY