Details
| Stereochemistry | ABSOLUTE |
| Molecular Formula | C10H12O2.C5H11NO2S |
| Molecular Weight | 313.412 |
| Optical Activity | UNSPECIFIED |
| Defined Stereocenters | 1 / 1 |
| E/Z Centers | 0 |
| Charge | 0 |
SHOW SMILES / InChI
SMILES
CSCC[C@H](N)C(O)=O.OC(=O)CCCC1=CC=CC=C1
InChI
InChIKey=MGJKPPXNDUHFBD-VWMHFEHESA-N
InChI=1S/C10H12O2.C5H11NO2S/c11-10(12)8-4-7-9-5-2-1-3-6-9;1-9-3-2-4(6)5(7)8/h1-3,5-6H,4,7-8H2,(H,11,12);4H,2-3,6H2,1H3,(H,7,8)/t;4-/m.0/s1
| Molecular Formula | C10H12O2 |
| Molecular Weight | 164.2011 |
| Charge | 0 |
| Count |
|
| Stereochemistry | ACHIRAL |
| Additional Stereochemistry | No |
| Defined Stereocenters | 0 / 0 |
| E/Z Centers | 0 |
| Optical Activity | NONE |
| Molecular Formula | C5H11NO2S |
| Molecular Weight | 149.211 |
| Charge | 0 |
| Count |
|
| Stereochemistry | ABSOLUTE |
| Additional Stereochemistry | No |
| Defined Stereocenters | 1 / 1 |
| E/Z Centers | 0 |
| Optical Activity | UNSPECIFIED |
Approval Year
| Substance Class |
Chemical
Created
by
admin
on
Edited
Sat Dec 16 13:46:07 UTC 2023
by
admin
on
Sat Dec 16 13:46:07 UTC 2023
|
| Record UNII |
P3LLJ7J1PX
|
| Record Status |
Validated (UNII)
|
| Record Version |
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-
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P3LLJ7J1PX
Created by
admin on Sat Dec 16 13:46:07 UTC 2023 , Edited by admin on Sat Dec 16 13:46:07 UTC 2023
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139593547
Created by
admin on Sat Dec 16 13:46:07 UTC 2023 , Edited by admin on Sat Dec 16 13:46:07 UTC 2023
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