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Details

Stereochemistry ABSOLUTE
Molecular Formula C6H11NO3S
Molecular Weight 177.221
Optical Activity UNSPECIFIED
Defined Stereocenters 3 / 3
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of CYCLOALLIIN

SMILES

C[C@H]1C[S@+]([O-])C[C@H](N1)C(O)=O

InChI

InChIKey=JYMHODZXTIGVPA-ANYMCVJYSA-N
InChI=1S/C6H11NO3S/c1-4-2-11(10)3-5(7-4)6(8)9/h4-5,7H,2-3H2,1H3,(H,8,9)/t4-,5-,11-/m0/s1

HIDE SMILES / InChI

Molecular Formula C6H11NO3S
Molecular Weight 177.221
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 2 / 2
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 08:38:27 GMT 2023
Edited
by admin
on Sat Dec 16 08:38:27 GMT 2023
Record UNII
WP7066JG47
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
CYCLOALLIIN
Common Name English
3-THIOMORPHOLINECARBOXYLIC ACID, 5-METHYL-, 1-OXIDE, (1S,3R,5S)-
Systematic Name English
3-THIOMORPHOLINECARBOXYLIC ACID, 5-METHYL-, 1-OXIDE, (1S-(1.ALPHA.,3.BETA.,5.BETA.))-
Systematic Name English
Code System Code Type Description
FDA UNII
WP7066JG47
Created by admin on Sat Dec 16 08:38:27 GMT 2023 , Edited by admin on Sat Dec 16 08:38:27 GMT 2023
PRIMARY
CAS
455-41-4
Created by admin on Sat Dec 16 08:38:27 GMT 2023 , Edited by admin on Sat Dec 16 08:38:27 GMT 2023
PRIMARY
PUBCHEM
12305353
Created by admin on Sat Dec 16 08:38:27 GMT 2023 , Edited by admin on Sat Dec 16 08:38:27 GMT 2023
PRIMARY