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Details

Stereochemistry MIXED
Molecular Formula C14H24O4S
Molecular Weight 288.403
Optical Activity UNSPECIFIED
Defined Stereocenters 3 / 5
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 2-Isopropyl-5-methylcyclohexyl 5-hydroxy-1,3-oxathiolane-2-carboxylate, (1R,2S,5R)-

SMILES

CC(C)[C@@H]1CC[C@@H](C)C[C@H]1OC(=O)C2OC(O)CS2

InChI

InChIKey=KXKDZLRTIFHOHW-YHCGEODQSA-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

Unknown
149124
Name Type Language
2-Isopropyl-5-methylcyclohexyl 5-hydroxy-1,3-oxathiolane-2-carboxylate, (1R,2S,5R)-
Systematic Name English
(1R,2S,5R)-2-Isopropyl-5-methylcyclohexyl 5-hydroxy-1,3-oxathiolane-2-carboxylate
Preferred Name English
1,3-Oxathiolane-2-carboxylic acid, 5-hydroxy-, (1R,2S,5R)-5-methyl-2-(1-methylethyl)cyclohexyl ester
Systematic Name English
1,3-Oxathiolane-2-carboxylic acid, 5-hydroxy-, 5-methyl-2-(1-methylethyl)cyclohexyl ester, [1R-(1?,2?,5?)]-[partial]
Systematic Name English
Code System Code Type Description
PUBCHEM
86280164
Created by admin on Wed Apr 02 17:18:26 GMT 2025 , Edited by admin on Wed Apr 02 17:18:26 GMT 2025
PRIMARY
FDA UNII
DD73KBT963
Created by admin on Wed Apr 02 17:18:26 GMT 2025 , Edited by admin on Wed Apr 02 17:18:26 GMT 2025
PRIMARY
CAS
200396-19-6
Created by admin on Wed Apr 02 17:18:26 GMT 2025 , Edited by admin on Wed Apr 02 17:18:26 GMT 2025
PRIMARY
NIH
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