Details
Stereochemistry | ACHIRAL |
Molecular Formula | C19H9Cl2N6O10S3.3Na |
Molecular Weight | 717.379 |
Optical Activity | NONE |
Defined Stereocenters | 0 / 0 |
E/Z Centers | 1 |
Charge | 0 |
SHOW SMILES / InChI
SMILES
[Na+].[Na+].[Na+].OC1=C2C(NC3=NC(Cl)=NC(Cl)=N3)=CC(=CC2=CC(=C1\N=N\C4=C(C=CC=C4)S([O-])(=O)=O)S([O-])(=O)=O)S([O-])(=O)=O
InChI
InChIKey=YQEHHPFEQLDFCN-DTBIJOOYSA-K
InChI=1S/C19H12Cl2N6O10S3.3Na/c20-17-23-18(21)25-19(24-17)22-11-7-9(38(29,30)31)5-8-6-13(40(35,36)37)15(16(28)14(8)11)27-26-10-3-1-2-4-12(10)39(32,33)34;;;/h1-7,28H,(H,29,30,31)(H,32,33,34)(H,35,36,37)(H,22,23,24,25);;;/q;3*+1/p-3/b27-26+;;;
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 | C19H9Cl2N6O10S3 |
Molecular Weight | 648.41 |
Charge | -3 |
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
Sat Dec 16 11:13:06 GMT 2023
by
admin
on
Sat Dec 16 11:13:06 GMT 2023
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Record UNII |
U25W4C358T
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Record Status |
Validated (UNII)
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Record Version |
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