Details
Stereochemistry | ACHIRAL |
Molecular Formula | 2C13H11Cl2O4.Ca.4H2O |
Molecular Weight | 716.4 |
Optical Activity | NONE |
Defined Stereocenters | 0 / 0 |
E/Z Centers | 0 |
Charge | 0 |
SHOW SMILES / InChI
SMILES
CCC(=C)C(=O)c1ccc(c(c1Cl)Cl)OCC(=O)[O-].CCC(=C)C(=O)c1ccc(c(c1Cl)Cl)OCC(=O)[O-].[Ca+2].O.O.O.O
InChI
InChIKey=YIDUDQBVPLSVTH-UHFFFAOYSA-L
InChI=1S/2C13H12Cl2O4.Ca.4H2O/c2*1-3-7(2)13(18)8-4-5-9(12(15)11(8)14)19-6-10(16)17;;;;;/h2*4-5H,2-3,6H2,1H3,(H,16,17);;4*1H2/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 | H2O |
Molecular Weight | 18.0153 |
Charge | 0 |
Count |
|
Stereochemistry | ACHIRAL |
Additional Stereochemistry | No |
Defined Stereocenters | 0 / 0 |
E/Z Centers | 0 |
Optical Activity | NONE |
Molecular Formula | C13H12Cl2O4 |
Molecular Weight | 303.1384 |
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
Fri Jun 25 23:30:20 UTC 2021
by
admin
on
Fri Jun 25 23:30:20 UTC 2021
|
Record UNII |
TPH43E35PH
|
Record Status |
Validated (UNII)
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Record Version |
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-
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133082859
Created by
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7541-97-1
Created by
admin on Fri Jun 25 23:30:21 UTC 2021 , Edited by admin on Fri Jun 25 23:30:21 UTC 2021
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TPH43E35PH
Created by
admin on Fri Jun 25 23:30:21 UTC 2021 , Edited by admin on Fri Jun 25 23:30:21 UTC 2021
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PRIMARY |
Related Record | Type | Details | ||
---|---|---|---|---|
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PARENT -> SALT/SOLVATE |