Details
Stereochemistry | ACHIRAL |
Molecular Formula | 2C8H9O3S.Ca |
Molecular Weight | 410.519 |
Optical Activity | NONE |
Defined Stereocenters | 0 / 0 |
E/Z Centers | 0 |
Charge | 0 |
SHOW SMILES / InChI
SMILES
[Ca++].CC1=CC(C)=C(C=C1)S([O-])(=O)=O.CC2=CC(C)=C(C=C2)S([O-])(=O)=O
InChI
InChIKey=PGHWLAQEFQPJRB-UHFFFAOYSA-L
InChI=1S/2C8H10O3S.Ca/c2*1-6-3-4-8(7(2)5-6)12(9,10)11;/h2*3-5H,1-2H3,(H,9,10,11);/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 | C8H9O3S |
Molecular Weight | 185.22 |
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 15:32:45 GMT 2023
by
admin
on
Fri Dec 15 15:32:45 GMT 2023
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Record UNII |
75Z351D5OQ
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Record Status |
Validated (UNII)
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Record Version |
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-
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DTXSID50713077
Created by
admin on Fri Dec 15 15:32:46 GMT 2023 , Edited by admin on Fri Dec 15 15:32:46 GMT 2023
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