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InChI=1S/CH4O/c1-2/h2H,1H3
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> Main
CHEBI:81973 - Pyrithiobac-sodium
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ChEBI Ontology
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ChEBI Name
Pyrithiobac-sodium
ChEBI ID
CHEBI:81973
Stars
This entity has been manually annotated by a third party.
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Formula
C13H10ClN2NaO4S
Net Charge
0
Average Mass
348.73700
Monoisotopic Mass
347.99475
InChI
InChI=1S/C13H11ClN2O4S.Na/c1-
19-
9-
6-
10(20-
2)
16-
13(15-
9)
21-
8-
5-
3-
4-
7(14)
11(8)
12(17)
18;/h3-
6H,1-
2H3,(H,17,18)
;/q;+1/p-
1
InChIKey
CNILNQMBAHKMFS-UHFFFAOYSA-M
SMILES
[Na+].COc1cc(OC)nc(Sc2cccc(Cl)c2C([O-])=O)n1
ChEBI Ontology
Outgoing
Pyrithiobac-sodium (
CHEBI:81973
)
is a
organic molecular entity (
CHEBI:50860
)
Synonym
Source
Pyrithiobac sodium
KEGG COMPOUND
Manual Xrefs
Databases
1029
PPDB
C18805
KEGG COMPOUND
View more database links
Registry Number
Type
Source
123343-16-8
CAS Registry Number
KEGG COMPOUND
Last Modified
13 December 2017