Details
Stereochemistry | RACEMIC |
Molecular Formula | C11H9O5S.Na |
Molecular Weight | 276.241 |
Optical Activity | ( + / - ) |
Defined Stereocenters | 0 / 1 |
E/Z Centers | 0 |
Charge | 0 |
SHOW SMILES / InChI
SMILES
[Na+].CC1(CC(=O)C2=CC=CC=C2C1=O)S([O-])(=O)=O
InChI
InChIKey=XDPFHGWVCTXHDX-UHFFFAOYSA-M
InChI=1S/C11H10O5S.Na/c1-11(17(14,15)16)6-9(12)7-4-2-3-5-8(7)10(11)13;/h2-5H,6H2,1H3,(H,14,15,16);/q;+1/p-1
Molecular Formula | Na |
Molecular Weight | 22.9898 |
Charge | 1 |
Count |
|
Stereochemistry | ACHIRAL |
Additional Stereochemistry | No |
Defined Stereocenters | 0 / 0 |
E/Z Centers | 0 |
Optical Activity | NONE |
Molecular Formula | C11H9O5S |
Molecular Weight | 253.251 |
Charge | -1 |
Count |
|
Stereochemistry | RACEMIC |
Additional Stereochemistry | No |
Defined Stereocenters | 0 / 1 |
E/Z Centers | 0 |
Optical Activity | ( + / - ) |
Approval Year
Substance Class |
Chemical
Created
by
admin
on
Edited
Fri Dec 15 18:32:35 UTC 2023
by
admin
on
Fri Dec 15 18:32:35 UTC 2023
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Record UNII |
97K34V88SA
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Record Status |
Validated (UNII)
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Record Version |
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-
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204-987-0
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Related Record | Type | Details | ||
---|---|---|---|---|
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SOLVATE->ANHYDROUS | |||
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PARENT -> SALT/SOLVATE |