Details
| Stereochemistry | ACHIRAL |
| Molecular Formula | C18H18ClNS.C6H8O7 |
| Molecular Weight | 507.984 |
| Optical Activity | NONE |
| Defined Stereocenters | 0 / 0 |
| E/Z Centers | 1 |
| Charge | 0 |
SHOW SMILES / InChI
SMILES
OC(=O)CC(O)(CC(O)=O)C(O)=O.CN(C)CC\C=C1/C2=CC(Cl)=CC=C2SC3=C1C=CC=C3
InChI
InChIKey=VLSAIYYYWWMOOQ-KIUKIJHYSA-N
InChI=1S/C18H18ClNS.C6H8O7/c1-20(2)11-5-7-14-15-6-3-4-8-17(15)21-18-10-9-13(19)12-16(14)18;7-3(8)1-6(13,5(11)12)2-4(9)10/h3-4,6-10,12H,5,11H2,1-2H3;13H,1-2H2,(H,7,8)(H,9,10)(H,11,12)/b14-7-;
| Molecular Formula | C18H18ClNS |
| Molecular Weight | 315.86 |
| Charge | 0 |
| Count |
|
| Stereochemistry | ACHIRAL |
| Additional Stereochemistry | No |
| Defined Stereocenters | 0 / 0 |
| E/Z Centers | 1 |
| Optical Activity | NONE |
| Molecular Formula | C6H8O7 |
| Molecular Weight | 192.1235 |
| Charge | 0 |
| Count |
|
| Stereochemistry | ACHIRAL |
| Additional Stereochemistry | No |
| Defined Stereocenters | 0 / 0 |
| E/Z Centers | 0 |
| Optical Activity | NONE |
Approval Year
| Substance Class |
Chemical
Created
by
admin
on
Edited
Mon Mar 31 21:33:31 GMT 2025
by
admin
on
Mon Mar 31 21:33:31 GMT 2025
|
| Record UNII |
814JN9G41D
|
| Record Status |
Validated (UNII)
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| Record Version |
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-
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861959-57-1
Created by
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814JN9G41D
Created by
admin on Mon Mar 31 21:33:31 GMT 2025 , Edited by admin on Mon Mar 31 21:33:31 GMT 2025
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24892862
Created by
admin on Mon Mar 31 21:33:31 GMT 2025 , Edited by admin on Mon Mar 31 21:33:31 GMT 2025
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PRIMARY |