Details
Stereochemistry | ACHIRAL |
Molecular Formula | 2C17H12ClN2O4S.Ba |
Molecular Weight | 888.939 |
Optical Activity | NONE |
Defined Stereocenters | 0 / 0 |
E/Z Centers | 2 |
Charge | 0 |
SHOW SMILES / InChI
SMILES
[Ba++].CC1=C(Cl)C=C(C(=C1)\N=N\C2=C3C=CC=CC3=CC=C2O)S([O-])(=O)=O.CC4=C(Cl)C=C(C(=C4)\N=N\C5=C6C=CC=CC6=CC=C5O)S([O-])(=O)=O
InChI
InChIKey=POJOORKDYOPQLS-FFRZOONGSA-L
InChI=1S/2C17H13ClN2O4S.Ba/c2*1-10-8-14(16(9-13(10)18)25(22,23)24)19-20-17-12-5-3-2-4-11(12)6-7-15(17)21;/h2*2-9,21H,1H3,(H,22,23,24);/q;;+2/p-2/b2*20-19+;
Molecular Formula | C17H12ClN2O4S |
Molecular Weight | 375.806 |
Charge | -1 |
Count |
|
Stereochemistry | ACHIRAL |
Additional Stereochemistry | No |
Defined Stereocenters | 0 / 0 |
E/Z Centers | 1 |
Optical Activity | NONE |
Molecular Formula | Ba |
Molecular Weight | 137.327 |
Charge | 2 |
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 16:34:10 GMT 2023
by
admin
on
Fri Dec 15 16:34:10 GMT 2023
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Record UNII |
1FO1ZO92Y1
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Record Status |
Validated (UNII)
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Record Version |
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-
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Classification Tree | Code System | Code | ||
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NCI_THESAURUS |
C461
Created by
admin on Fri Dec 15 16:34:10 GMT 2023 , Edited by admin on Fri Dec 15 16:34:10 GMT 2023
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C77195
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4138
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1FO1ZO92Y1
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225-935-3
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DTXSID3021229
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5160-02-1
Created by
admin on Fri Dec 15 16:34:10 GMT 2023 , Edited by admin on Fri Dec 15 16:34:10 GMT 2023
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