Details
| Stereochemistry | ACHIRAL |
| Molecular Formula | C6H3Br2O4S.Na.2H2O |
| Molecular Weight | 389.979 |
| Optical Activity | NONE |
| Defined Stereocenters | 0 / 0 |
| E/Z Centers | 0 |
| Charge | 0 |
SHOW SMILES / InChI
SMILES
O.O.[Na+].OC1=C(Br)C=C(C=C1Br)S([O-])(=O)=O
InChI
InChIKey=XYHMIVGROSZJLR-UHFFFAOYSA-M
InChI=1S/C6H4Br2O4S.Na.2H2O/c7-4-1-3(13(10,11)12)2-5(8)6(4)9;;;/h1-2,9H,(H,10,11,12);;2*1H2/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 | 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 | C6H4Br2O4S |
| Molecular Weight | 331.967 |
| Charge | 0 |
| 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
Sat Dec 16 07:51:14 GMT 2023
by
admin
on
Sat Dec 16 07:51:14 GMT 2023
|
| Record UNII |
783W02QR0X
|
| Record Status |
Validated (UNII)
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| Record Version |
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-
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| Code System | Code | Type | Description | ||
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SUB75114
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admin on Sat Dec 16 07:51:15 GMT 2023 , Edited by admin on Sat Dec 16 07:51:15 GMT 2023
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100000136885
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admin on Sat Dec 16 07:51:15 GMT 2023 , Edited by admin on Sat Dec 16 07:51:15 GMT 2023
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76970223
Created by
admin on Sat Dec 16 07:51:15 GMT 2023 , Edited by admin on Sat Dec 16 07:51:15 GMT 2023
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m1111
Created by
admin on Sat Dec 16 07:51:15 GMT 2023 , Edited by admin on Sat Dec 16 07:51:15 GMT 2023
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PRIMARY | Merck Index | ||
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783W02QR0X
Created by
admin on Sat Dec 16 07:51:15 GMT 2023 , Edited by admin on Sat Dec 16 07:51:15 GMT 2023
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3136
Created by
admin on Sat Dec 16 07:51:15 GMT 2023 , Edited by admin on Sat Dec 16 07:51:15 GMT 2023
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PRIMARY |
| Related Record | Type | Details | ||
|---|---|---|---|---|
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ANHYDROUS->SOLVATE | |||
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PARENT -> SALT/SOLVATE |
| Related Record | Type | Details | ||
|---|---|---|---|---|
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ACTIVE MOIETY |