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

Details

Stereochemistry ABSOLUTE
Molecular Formula C16H13BrO2
Molecular Weight 317.177
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 1
E/Z Centers 1
Charge 0

SHOW SMILES / InChI
Structure of Bromoenol lactone, (S)-

SMILES

Br\C=C1/CC[C@H](C(=O)O1)C2=C3C=CC=CC3=CC=C2

InChI

InChIKey=BYUCSFWXCMTYOI-PABFRNLHSA-N
InChI=1S/C16H13BrO2/c17-10-12-8-9-15(16(18)19-12)14-7-3-5-11-4-1-2-6-13(11)14/h1-7,10,15H,8-9H2/b12-10+/t15-/m0/s1

HIDE SMILES / InChI

Molecular Formula C16H13BrO2
Molecular Weight 317.177
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 1 / 1
E/Z Centers 1
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Wed Apr 02 05:36:28 GMT 2025
Edited
by admin
on Wed Apr 02 05:36:28 GMT 2025
Record UNII
V67P8UH5QB
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
Bromoenol lactone, (S)-
Common Name English
(S)-BEL
Preferred Name English
2H-Pyran-2-one, 6-(bromomethylene)tetrahydro-3-(1-naphthalenyl)-, (3S,6E)-
Systematic Name English
(3S,6E)-6-(Bromomethylene)tetrahydro-3-(1-naphthalenyl)-2H-pyran-2-one
Systematic Name English
(S)-Bromoenol lactone
Common Name English
Code System Code Type Description
CAS
478288-94-7
Created by admin on Wed Apr 02 05:36:28 GMT 2025 , Edited by admin on Wed Apr 02 05:36:28 GMT 2025
PRIMARY
PUBCHEM
40486927
Created by admin on Wed Apr 02 05:36:28 GMT 2025 , Edited by admin on Wed Apr 02 05:36:28 GMT 2025
PRIMARY
EPA CompTox
DTXSID901347818
Created by admin on Wed Apr 02 05:36:28 GMT 2025 , Edited by admin on Wed Apr 02 05:36:28 GMT 2025
PRIMARY
FDA UNII
V67P8UH5QB
Created by admin on Wed Apr 02 05:36:28 GMT 2025 , Edited by admin on Wed Apr 02 05:36:28 GMT 2025
PRIMARY
CAS
97806-21-8
Created by admin on Wed Apr 02 05:36:28 GMT 2025 , Edited by admin on Wed Apr 02 05:36:28 GMT 2025
NON-SPECIFIC STEREOCHEMISTRY
Related Record Type Details
RACEMATE -> ENANTIOMER
ENANTIOMER -> ENANTIOMER