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

Details

Stereochemistry ABSOLUTE
Molecular Formula C12H16O5S
Molecular Weight 272.317
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of Methyl (3R)-3-[[(4-methylphenyl)sulfonyl]oxy]butanoate

SMILES

COC(=O)C[C@@H](C)OS(=O)(=O)C1=CC=C(C)C=C1

InChI

InChIKey=ZPNXTLBKSJMKNG-SNVBAGLBSA-N
InChI=1S/C12H16O5S/c1-9-4-6-11(7-5-9)18(14,15)17-10(2)8-12(13)16-3/h4-7,10H,8H2,1-3H3/t10-/m1/s1

HIDE SMILES / InChI

Approval Year

Name Type Language
Butanoic acid, 3-[[(4-methylphenyl)sulfonyl]oxy]-, methyl ester, (3R)-
Preferred Name English
Methyl (3R)-3-[[(4-methylphenyl)sulfonyl]oxy]butanoate
Systematic Name English
Code System Code Type Description
FDA UNII
RK7F7X85V9
Created by admin on Wed Apr 02 19:47:06 GMT 2025 , Edited by admin on Wed Apr 02 19:47:06 GMT 2025
PRIMARY
CAS
91366-12-0
Created by admin on Wed Apr 02 19:47:06 GMT 2025 , Edited by admin on Wed Apr 02 19:47:06 GMT 2025
PRIMARY
PUBCHEM
10378536
Created by admin on Wed Apr 02 19:47:06 GMT 2025 , Edited by admin on Wed Apr 02 19:47:06 GMT 2025
PRIMARY