Details
| Stereochemistry | ACHIRAL |
| Molecular Formula | C9H8NO4S.Na |
| Molecular Weight | 249.219 |
| Optical Activity | NONE |
| Defined Stereocenters | 0 / 0 |
| E/Z Centers | 0 |
| Charge | 0 |
SHOW SMILES / InChI
SMILES
[Na+].CCOC1=CC=C(C#N)C(=C1)S([O-])(=O)=O
InChI
InChIKey=ROVCHLIPMLVMLL-UHFFFAOYSA-M
InChI=1S/C9H9NO4S.Na/c1-2-14-8-4-3-7(6-10)9(5-8)15(11,12)13;/h3-5H,2H2,1H3,(H,11,12,13);/q;+1/p-1
| Molecular Formula | C9H8NO4S |
| Molecular Weight | 226.229 |
| Charge | -1 |
| Count |
|
| Stereochemistry | ACHIRAL |
| Additional Stereochemistry | No |
| Defined Stereocenters | 0 / 0 |
| E/Z Centers | 0 |
| Optical Activity | NONE |
| Molecular Formula | Na |
| Molecular Weight | 22.9898 |
| Charge | 1 |
| 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
Sat Dec 16 12:16:25 GMT 2023
by
admin
on
Sat Dec 16 12:16:25 GMT 2023
|
| Record UNII |
XFD11XH3HP
|
| Record Status |
Validated (UNII)
|
| Record Version |
|
-
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94159-55-4
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admin on Sat Dec 16 12:16:25 GMT 2023 , Edited by admin on Sat Dec 16 12:16:25 GMT 2023
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