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

Details

Stereochemistry ABSOLUTE
Molecular Formula C11H14O4S
Molecular Weight 242.291
Optical Activity ( + )
Defined Stereocenters 1 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of Tetrahydrofuran-3-yl 4-methylbenzenesulfonate, (3S)-

SMILES

CC1=CC=C(C=C1)S(=O)(=O)O[C@H]2CCOC2

InChI

InChIKey=WWCNXHYRAKUQDB-JTQLQIEISA-N
InChI=1S/C11H14O4S/c1-9-2-4-11(5-3-9)16(12,13)15-10-6-7-14-8-10/h2-5,10H,6-8H2,1H3/t10-/m0/s1

HIDE SMILES / InChI

Molecular Formula C11H14O4S
Molecular Weight 242.291
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 18:11:08 GMT 2023
Edited
by admin
on Sat Dec 16 18:11:08 GMT 2023
Record UNII
R9ZD9YAZ6Y
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
Tetrahydrofuran-3-yl 4-methylbenzenesulfonate, (3S)-
Systematic Name English
(S)-(Tetrahydrofuran-3-yl) tosylate
Systematic Name English
(S)-Toluene-4-sulfonic acid tetrahydrofuran-3-yl ester
Systematic Name English
4-Methylbenzenesulfonic acid (3S)-oxolan-3-yl ester
Systematic Name English
3-Furanol, tetrahydro-, 3-(4-methylbenzenesulfonate), (S)-
Systematic Name English
3-Furanol, tetrahydro-, 3-(4-methylbenzenesulfonate), (3S)-
Systematic Name English
(S)-Tetrahydrofuran-3-yl 4-methylbenzenesulfonate
Systematic Name English
Code System Code Type Description
FDA UNII
R9ZD9YAZ6Y
Created by admin on Sat Dec 16 18:11:08 GMT 2023 , Edited by admin on Sat Dec 16 18:11:08 GMT 2023
PRIMARY
EPA CompTox
DTXSID50550848
Created by admin on Sat Dec 16 18:11:08 GMT 2023 , Edited by admin on Sat Dec 16 18:11:08 GMT 2023
PRIMARY
CAS
112052-11-6
Created by admin on Sat Dec 16 18:11:08 GMT 2023 , Edited by admin on Sat Dec 16 18:11:08 GMT 2023
PRIMARY
PUBCHEM
13837326
Created by admin on Sat Dec 16 18:11:08 GMT 2023 , Edited by admin on Sat Dec 16 18:11:08 GMT 2023
PRIMARY
Related Record Type Details
ENANTIOMER -> ENANTIOMER