Details
Stereochemistry | ACHIRAL |
Molecular Formula | 2C6H5O5S.Ca.H2O |
Molecular Weight | 436.425 |
Optical Activity | NONE |
Defined Stereocenters | 0 / 0 |
E/Z Centers | 0 |
Charge | 0 |
SHOW SMILES / InChI
SMILES
O.[Ca++].OC1=CC=C(O)C(=C1)S([O-])(=O)=O.OC2=CC=C(O)C(=C2)S([O-])(=O)=O
InChI
InChIKey=JMTQBGBMQZPWCS-UHFFFAOYSA-L
InChI=1S/2C6H6O5S.Ca.H2O/c2*7-4-1-2-5(8)6(3-4)12(9,10)11;;/h2*1-3,7-8H,(H,9,10,11);;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 | C6H5O5S |
Molecular Weight | 189.166 |
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
Fri Dec 15 18:14:24 UTC 2023
by
admin
on
Fri Dec 15 18:14:24 UTC 2023
|
Record UNII |
M0ROX9374L
|
Record Status |
Validated (UNII)
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Record Version |
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-
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100000091966
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45358052
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admin on Fri Dec 15 18:14:24 UTC 2023 , Edited by admin on Fri Dec 15 18:14:24 UTC 2023
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117552-78-0
Created by
admin on Fri Dec 15 18:14:24 UTC 2023 , Edited by admin on Fri Dec 15 18:14:24 UTC 2023
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M0ROX9374L
Created by
admin on Fri Dec 15 18:14:24 UTC 2023 , Edited by admin on Fri Dec 15 18:14:24 UTC 2023
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117552-79-1
Created by
admin on Fri Dec 15 18:14:24 UTC 2023 , Edited by admin on Fri Dec 15 18:14:24 UTC 2023
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SUB11768MIG
Created by
admin on Fri Dec 15 18:14:24 UTC 2023 , Edited by admin on Fri Dec 15 18:14:24 UTC 2023
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PRIMARY |
Related Record | Type | Details | ||
---|---|---|---|---|
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ANHYDROUS->SOLVATE | |||
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PARENT -> SALT/SOLVATE |