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CHEBI:81973 - Pyrithiobac-sodium

Default Structure
ChEBI IDCHEBI:81973
ChEBI NamePyrithiobac-sodium
Stars
Last Modified13 December 2017
DownloadsMolfile
FormulaC13H10ClN2O4S.Na
Net Charge0
Average Mass348.743
Monoisotopic Mass347.99475
SMILESCOc1cc(OC)nc(Sc2cccc(Cl)c2C(=O)[O-])n1.[Na+]
InChIInChI=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
InChIKeyCNILNQMBAHKMFS-UHFFFAOYSA-M
ChEBI Ontology
Outgoing Relation(s)
Pyrithiobac-sodium (CHEBI:81973) is a organic molecular entity (CHEBI:50860)
Synonym  Source
Pyrithiobac sodiumKEGG COMPOUND
Manual XrefsDatabases
1029PPDB
C18805KEGG COMPOUND
Registry NumbersSources
CAS:123343-16-8KEGG COMPOUND