Details
| Stereochemistry | ACHIRAL |
| Molecular Formula | 2C7H7O5S.Ca |
| Molecular Weight | 446.463 |
| Optical Activity | NONE |
| Defined Stereocenters | 0 / 0 |
| E/Z Centers | 0 |
| Charge | 0 |
SHOW SMILES / InChI
SMILES
[Ca++].COC1=C(OS([O-])(=O)=O)C=CC=C1.COC2=C(OS([O-])(=O)=O)C=CC=C2
InChI
InChIKey=DEMIBJFBJNXRKU-UHFFFAOYSA-L
InChI=1S/2C7H8O5S.Ca/c2*1-11-6-4-2-3-5-7(6)12-13(8,9)10;/h2*2-5H,1H3,(H,8,9,10);/q;;+2/p-2
| Molecular Formula | Ca |
| Molecular Weight | 40.078 |
| Charge | 2 |
| Count |
|
| Stereochemistry | ACHIRAL |
| Additional Stereochemistry | No |
| Defined Stereocenters | 0 / 0 |
| E/Z Centers | 0 |
| Optical Activity | NONE |
| Molecular Formula | C7H7O5S |
| Molecular Weight | 203.192 |
| 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
Tue Apr 01 17:10:08 GMT 2025
by
admin
on
Tue Apr 01 17:10:08 GMT 2025
|
| Record UNII |
L071E3054J
|
| Record Status |
Validated (UNII)
|
| Record Version |
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-
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17139-96-7
Created by
admin on Tue Apr 01 17:10:08 GMT 2025 , Edited by admin on Tue Apr 01 17:10:08 GMT 2025
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L071E3054J
Created by
admin on Tue Apr 01 17:10:08 GMT 2025 , Edited by admin on Tue Apr 01 17:10:08 GMT 2025
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DTXSID80647790
Created by
admin on Tue Apr 01 17:10:08 GMT 2025 , Edited by admin on Tue Apr 01 17:10:08 GMT 2025
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57370503
Created by
admin on Tue Apr 01 17:10:08 GMT 2025 , Edited by admin on Tue Apr 01 17:10:08 GMT 2025
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PRIMARY |
| Related Record | Type | Details | ||
|---|---|---|---|---|
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PARENT -> SALT/SOLVATE |
