CHEBI:81973 - Pyrithiobac-sodium

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name Pyrithiobac-sodium
ChEBI ID CHEBI:81973
Stars This entity has been manually annotated by a third party.
Supplier Information
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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
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Registry Number Type Source
123343-16-8 CAS Registry Number KEGG COMPOUND
Last Modified
13 December 2017