Details
| Stereochemistry | ACHIRAL |
| Molecular Formula | 2C16H18ClO3.Ca |
| Molecular Weight | 627.609 |
| Optical Activity | NONE |
| Defined Stereocenters | 0 / 0 |
| E/Z Centers | 0 |
| Charge | 0 |
SHOW SMILES / InChI
SMILES
[Ca++].[O-]C(=O)CCC(=O)C1=CC=C(C2CCCCC2)C(Cl)=C1.[O-]C(=O)CCC(=O)C3=CC=C(C4CCCCC4)C(Cl)=C3
InChI
InChIKey=FKJKZQUQHXSBHB-UHFFFAOYSA-L
InChI=1S/2C16H19ClO3.Ca/c2*17-14-10-12(15(18)8-9-16(19)20)6-7-13(14)11-4-2-1-3-5-11;/h2*6-7,10-11H,1-5,8-9H2,(H,19,20);/q;;+2/p-2
| Molecular Formula | C16H18ClO3 |
| Molecular Weight | 293.765 |
| Charge | -1 |
| Count |
|
| Stereochemistry | ACHIRAL |
| Additional Stereochemistry | No |
| Defined Stereocenters | 0 / 0 |
| E/Z Centers | 0 |
| Optical Activity | NONE |
| 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 |
Approval Year
| Substance Class |
Chemical
Created
by
admin
on
Edited
Mon Mar 31 17:50:09 GMT 2025
by
admin
on
Mon Mar 31 17:50:09 GMT 2025
|
| Record UNII |
TM91R7KYOT
|
| Record Status |
Validated (UNII)
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| Record Version |
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32808-53-0
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198123
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TM91R7KYOT
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m90
Created by
admin on Mon Mar 31 17:50:09 GMT 2025 , Edited by admin on Mon Mar 31 17:50:09 GMT 2025
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PRIMARY | Merck Index | ||
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DTXSID50954463
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251-232-6
Created by
admin on Mon Mar 31 17:50:09 GMT 2025 , Edited by admin on Mon Mar 31 17:50:09 GMT 2025
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PARENT -> SALT/SOLVATE |
