Details
| Stereochemistry | ACHIRAL |
| Molecular Formula | C23H16O13.4Na |
| Molecular Weight | 592.3244 |
| Optical Activity | NONE |
| Defined Stereocenters | 0 / 0 |
| E/Z Centers | 1 |
| Charge | 0 |
SHOW SMILES / InChI
SMILES
[Na+].[Na+].[Na+].[Na+].[O-]C(=O)COC1=CC=C(\C=C\C(=O)C2=C(OCC([O-])=O)C=C(OCC([O-])=O)C=C2OCC([O-])=O)C=C1
InChI
InChIKey=LQROMFQQFYRHQY-IMNYFHCPSA-J
InChI=1S/C23H20O13.4Na/c24-16(6-3-13-1-4-14(5-2-13)33-9-19(25)26)23-17(35-11-21(29)30)7-15(34-10-20(27)28)8-18(23)36-12-22(31)32;;;;/h1-8H,9-12H2,(H,25,26)(H,27,28)(H,29,30)(H,31,32);;;;/q;4*+1/p-4/b6-3+;;;;
| Molecular Formula | C23H16O13 |
| Molecular Weight | 500.3653 |
| Charge | -4 |
| Count |
|
| Stereochemistry | ACHIRAL |
| Additional Stereochemistry | No |
| Defined Stereocenters | 0 / 0 |
| E/Z Centers | 1 |
| Optical Activity | NONE |
| Molecular Formula | Na |
| Molecular Weight | 22.98976928 |
| 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
Wed Apr 02 21:08:34 GMT 2025
by
admin
on
Wed Apr 02 21:08:34 GMT 2025
|
| Record UNII |
26U8M6D3ZH
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| Record Status |
Validated (UNII)
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| Record Version |
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-
Download
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Preferred Name | English | ||
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Systematic Name | English |
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26U8M6D3ZH
Created by
admin on Wed Apr 02 21:08:34 GMT 2025 , Edited by admin on Wed Apr 02 21:08:34 GMT 2025
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2248426-38-0
Created by
admin on Wed Apr 02 21:08:34 GMT 2025 , Edited by admin on Wed Apr 02 21:08:34 GMT 2025
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PRIMARY |
| Related Record | Type | Details | ||
|---|---|---|---|---|
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PARENT -> SALT/SOLVATE |
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![Structure of 2,2?,2??-[[2-[(2E)-3-[4-(Carboxymethoxy)phenyl]-1-oxo-2-propen-1-yl]-1,3,5-benzenetriyl]tris(oxy)]tris[acetic acid]](/img/c0a341e1-de86-418c-9192-51602dcce482.svg "Structure of 2,2?,2??-[[2-[(2E)-3-[4-(Carboxymethoxy)phenyl]-1-oxo-2-propen-1-yl]-1,3,5-benzenetriyl]tris(oxy)]tris[acetic acid]")