CHEBI:34953 - Ro 61-8048

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ChEBI Name Ro 61-8048 ChEBI ID CHEBI:34953 Stars This entity has been manually annotated by a third party. Supplier Information Download Molfile XML SDF Find compounds which contain this structure Find compounds which resemble this structure Take structure to the Advanced Search Formula C17H15N3O6S2 Net Charge 0 Average Mass 421.450 Monoisotopic Mass 421.04023 InChI InChI=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) InChIKey NDPBMCKQJOZAQX-UHFFFAOYSA-N SMILES COc1ccc(cc1OC)S(=O)(=O)Nc1nc(cs1)-c1cccc(c1)[N+]([O-])=O ChEBI Ontology Outgoing Ro 61-8048 (CHEBI:34953) is a C-nitro compound (CHEBI:35716) Synonym Source Ro 61-8048 KEGG COMPOUND Manual Xref Database C14126 KEGG COMPOUND View more database links Registry Number Type Source 199666-03-0 CAS Registry Number KEGG COMPOUND Last Modified 28 July 2014