Details
| Stereochemistry | ACHIRAL |
| Molecular Formula | C16H11N3O7S2.2Na |
| Molecular Weight | 467.384 |
| Optical Activity | NONE |
| Defined Stereocenters | 0 / 0 |
| E/Z Centers | 1 |
| Charge | 0 |
SHOW SMILES / InChI
SMILES
[Na+].[Na+].NC1=CC(=CC2=CC(=C(\N=N\C3=CC=CC=C3)C(O)=C12)S([O-])(=O)=O)S([O-])(=O)=O
InChI
InChIKey=LQJVOKWHGUAUHK-BUFQOAPZSA-L
InChI=1S/C16H13N3O7S2.2Na/c17-12-8-11(27(21,22)23)6-9-7-13(28(24,25)26)15(16(20)14(9)12)19-18-10-4-2-1-3-5-10;;/h1-8,20H,17H2,(H,21,22,23)(H,24,25,26);;/q;2*+1/p-2/b19-18+;;
| 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 |
| Molecular Formula | C16H11N3O7S2 |
| Molecular Weight | 421.404 |
| Charge | -2 |
| Count |
|
| Stereochemistry | ACHIRAL |
| Additional Stereochemistry | No |
| Defined Stereocenters | 0 / 0 |
| E/Z Centers | 1 |
| Optical Activity | NONE |
Approval Year
| Substance Class |
Chemical
Created
by
admin
on
Edited
Mon Mar 31 18:27:56 GMT 2025
by
admin
on
Mon Mar 31 18:27:56 GMT 2025
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| Record UNII |
9DBA0SBB0L
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| Record Status |
Validated (UNII)
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| Record Version |
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| Classification Tree | Code System | Code | ||
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NCI_THESAURUS |
C461
Created by
admin on Mon Mar 31 18:27:56 GMT 2025 , Edited by admin on Mon Mar 31 18:27:56 GMT 2025
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| Code System | Code | Type | Description | ||
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C71663
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5004
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3567-66-6
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9DBA0SBB0L
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DTXSID1044562
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9DBA0SBB0L
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222-656-9
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12190
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C044608
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1310601
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| Related Record | Type | Details | ||
|---|---|---|---|---|
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PARENT -> SALT/SOLVATE |
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