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CHEBI:81741 - Iodosulfuron-methyl-sodium

Default Structure
ChEBI IDCHEBI:81741
ChEBI NameIodosulfuron-methyl-sodium
Stars
DownloadsMolfile
FormulaC14H13IN5O6S.Na
Net Charge0
Average Mass529.248
Monoisotopic Mass528.95290
SMILESCOC(=O)c1ccc(I)cc1S(=O)(=O)NC(=O)[N-]c1nc(C)nc(OC)n1.[Na+]
InChIInChI=1S/C14H14IN5O6S.Na/c1-7-16-12(19-14(17-7)26-3)18-13(22)20-27(23,24)10-6-8(15)4-5-9(10)11(21)25-2;/h4-6H,1-3H3,(H2,16,17,18,19,20,22);/q;+1/p-1
InChIKeyJUJFQMPKBJPSFZ-UHFFFAOYSA-M
ChEBI Ontology
Outgoing Relation(s)
Iodosulfuron-methyl-sodium (CHEBI:81741) is a organic molecular entity (CHEBI:50860)
Synonym  Source
Iodosulfuron-methyl sodium saltKEGG COMPOUND
Manual XrefsDatabases
401PPDB
C18431KEGG COMPOUND
Registry NumbersSources
CAS:144550-36-7KEGG COMPOUND