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CHEBI:34953 - Ro 61-8048

ChEBI IDCHEBI:34953
ChEBI NameRo 61-8048
Stars
Last Modified28 July 2014
DownloadsMolfile
FormulaC17H15N3O6S2
Net Charge0
Average Mass421.456
Monoisotopic Mass421.04023
SMILESCOc1ccc(S(=O)(=O)Nc2nc(-c3cccc([N+](=O)[O-])c3)cs2)cc1OC
InChIInChI=1S/C17H15N3O6S2/c1-25-15-7-6-13(9-16(15)26-2)28(23,24)19-17-18-14(10-27-17)11-4-3-5-12(8-11)20(21)22/h3-10H,1-2H3,(H,18,19)
InChIKeyNDPBMCKQJOZAQX-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
Ro 61-8048 (CHEBI:34953) is a C-nitro compound (CHEBI:35716)
Synonym  Source
Ro 61-8048KEGG COMPOUND
Manual XrefsDatabases
C14126KEGG COMPOUND
Registry NumbersSources
CAS:199666-03-0KEGG COMPOUND