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

Details

Stereochemistry ABSOLUTE
Molecular Formula C17H16BrClO2
Molecular Weight 367.665
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of (S)-3-(4-(5-BROMO-2-CHLOROBENZYL)PHENOXY)TETRAHYDROFURAN

SMILES

ClC1=CC=C(Br)C=C1CC2=CC=C(O[C@H]3CCOC3)C=C2

InChI

InChIKey=HUNLNKBDQXGMAP-INIZCTEOSA-N
InChI=1S/C17H16BrClO2/c18-14-3-6-17(19)13(10-14)9-12-1-4-15(5-2-12)21-16-7-8-20-11-16/h1-6,10,16H,7-9,11H2/t16-/m0/s1

HIDE SMILES / InChI

Molecular Formula C17H16BrClO2
Molecular Weight 367.665
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 1 / 1
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 18:43:30 UTC 2023
Edited
by admin
on Sat Dec 16 18:43:30 UTC 2023
Record UNII
4WR8P4HZ8G
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
(S)-3-(4-(5-BROMO-2-CHLOROBENZYL)PHENOXY)TETRAHYDROFURAN
Systematic Name English
FURAN, 3-(4-((5-BROMO-2-CHLOROPHENYL)METHYL)PHENOXY)TETRAHYDRO-, (3S)-
Systematic Name English
Code System Code Type Description
FDA UNII
4WR8P4HZ8G
Created by admin on Sat Dec 16 18:43:31 UTC 2023 , Edited by admin on Sat Dec 16 18:43:31 UTC 2023
PRIMARY
PUBCHEM
15941217
Created by admin on Sat Dec 16 18:43:31 UTC 2023 , Edited by admin on Sat Dec 16 18:43:31 UTC 2023
PRIMARY
CAS
915095-89-5
Created by admin on Sat Dec 16 18:43:31 UTC 2023 , Edited by admin on Sat Dec 16 18:43:31 UTC 2023
PRIMARY
Related Record Type Details
PARENT -> IMPURITY