Details
Stereochemistry | ACHIRAL |
Molecular Formula | C20H14N4O7S2.Ca |
Molecular Weight | 526.556 |
Optical Activity | NONE |
Defined Stereocenters | 0 / 0 |
E/Z Centers | 1 |
Charge | 0 |
SHOW SMILES / InChI
SMILES
[Ca++].CC1=NN(C(O)=C1\N=N\C2=CC=C3C=CC=CC3=C2S([O-])(=O)=O)C4=CC=CC(=C4)S([O-])(=O)=O
InChI
InChIKey=OJRRGTHULIWMSL-QUABFQRHSA-L
InChI=1S/C20H16N4O7S2.Ca/c1-12-18(20(25)24(23-12)14-6-4-7-15(11-14)32(26,27)28)22-21-17-10-9-13-5-2-3-8-16(13)19(17)33(29,30)31;/h2-11,25H,1H3,(H,26,27,28)(H,29,30,31);/q;+2/p-2/b22-21+;
Molecular Formula | C20H14N4O7S2 |
Molecular Weight | 486.478 |
Charge | -2 |
Count |
|
Stereochemistry | ACHIRAL |
Additional Stereochemistry | No |
Defined Stereocenters | 0 / 0 |
E/Z Centers | 1 |
Optical Activity | NONE |
Molecular Formula | Ca |
Molecular Weight | 40.078 |
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
Sat Dec 16 05:42:05 GMT 2023
by
admin
on
Sat Dec 16 05:42:05 GMT 2023
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Record UNII |
29TUI0642S
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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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Food Contact Sustance Notif, (FCN No.) |
FCN NO, 25
Created by
admin on Sat Dec 16 05:42:05 GMT 2023 , Edited by admin on Sat Dec 16 05:42:05 GMT 2023
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71587677
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945426-27-7
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250640-90-5
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DTXSID00947926
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29TUI0642S
Created by
admin on Sat Dec 16 05:42:05 GMT 2023 , Edited by admin on Sat Dec 16 05:42:05 GMT 2023
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