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Details

Stereochemistry ABSOLUTE
Molecular Formula C14H24O4S
Molecular Weight 288.403
Optical Activity UNSPECIFIED
Defined Stereocenters 5 / 5
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 1,3-Oxathiolane-2-carboxylic acid, 5-hydroxy-, 5-methyl-2-(1-methylethyl)cyclohexyl ester, [1R-[1?(2S*,5S*),2?,5?]]-

SMILES

CC(C)[C@@H]1CC[C@@H](C)C[C@H]1OC(=O)[C@H]2O[C@H](O)CS2

InChI

InChIKey=KXKDZLRTIFHOHW-MOWSAHLDSA-N
InChI=1S/C14H24O4S/c1-8(2)10-5-4-9(3)6-11(10)17-13(16)14-18-12(15)7-19-14/h8-12,14-15H,4-7H2,1-3H3/t9-,10+,11-,12+,14+/m1/s1

HIDE SMILES / InChI

Approval Year

Name Type Language
1,3-Oxathiolane-2-carboxylic acid, 5-hydroxy-, 5-methyl-2-(1-methylethyl)cyclohexyl ester, [1R-[1?(2S*,5S*),2?,5?]]-
Systematic Name English
(2S,5S)-5-hydroxy-1,3-oxathiolane-2-carboxylic acid [(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] ester
Preferred Name English
Code System Code Type Description
CAS
147126-63-4
Created by admin on Wed Apr 02 17:27:11 GMT 2025 , Edited by admin on Wed Apr 02 17:27:11 GMT 2025
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EPA CompTox
DTXSID401106237
Created by admin on Wed Apr 02 17:27:11 GMT 2025 , Edited by admin on Wed Apr 02 17:27:11 GMT 2025
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FDA UNII
9X6CR69374
Created by admin on Wed Apr 02 17:27:11 GMT 2025 , Edited by admin on Wed Apr 02 17:27:11 GMT 2025
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PUBCHEM
15383324
Created by admin on Wed Apr 02 17:27:11 GMT 2025 , Edited by admin on Wed Apr 02 17:27:11 GMT 2025
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