Details
| Stereochemistry | RACEMIC |
| Molecular Formula | C12H16O5S |
| Molecular Weight | 272.317 |
| Optical Activity | ( + / - ) |
| Defined Stereocenters | 0 / 1 |
| E/Z Centers | 0 |
| Charge | 0 |
SHOW SMILES / InChI
SMILES
COC(=O)CC(C)OS(=O)(=O)C1=CC=C(C)C=C1
InChI
InChIKey=ZPNXTLBKSJMKNG-UHFFFAOYSA-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
| Molecular Formula | C12H16O5S |
| Molecular Weight | 272.317 |
| Charge | 0 |
| Count |
|
| Stereochemistry | RACEMIC |
| Additional Stereochemistry | No |
| Defined Stereocenters | 0 / 1 |
| E/Z Centers | 0 |
| Optical Activity | ( + / - ) |
Approval Year
| Substance Class |
Chemical
Created
by
admin
on
Edited
Wed Apr 02 19:23:11 GMT 2025
by
admin
on
Wed Apr 02 19:23:11 GMT 2025
|
| Record UNII |
GTP7SYB2JR
|
| Record Status |
Validated (UNII)
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| Record Version |
|
-
Download
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Preferred Name | English | ||
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Systematic Name | English | ||
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Systematic Name | English |
| Code System | Code | Type | Description | ||
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GTP7SYB2JR
Created by
admin on Wed Apr 02 19:23:11 GMT 2025 , Edited by admin on Wed Apr 02 19:23:11 GMT 2025
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PRIMARY | |||
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106797-75-5
Created by
admin on Wed Apr 02 19:23:11 GMT 2025 , Edited by admin on Wed Apr 02 19:23:11 GMT 2025
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561524
Created by
admin on Wed Apr 02 19:23:11 GMT 2025 , Edited by admin on Wed Apr 02 19:23:11 GMT 2025
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PRIMARY |
| Related Record | Type | Details | ||
|---|---|---|---|---|
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ENANTIOMER -> RACEMATE |
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ENANTIOMER -> RACEMATE |
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![Structure of Methyl (3R)-3-[[(4-methylphenyl)sulfonyl]oxy]butanoate](/img/0370be5d-240a-4a19-b83f-bd25d07085fc.svg "Structure of Methyl (3R)-3-[[(4-methylphenyl)sulfonyl]oxy]butanoate")
![Structure of Methyl (3S)-3-[[(4-methylphenyl)sulfonyl]oxy]butanoate](/img/32615798-d800-4dc5-87d8-03680c49f580.svg "Structure of Methyl (3S)-3-[[(4-methylphenyl)sulfonyl]oxy]butanoate")