CHEBI:83997 - (R)-simeconazole

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ChEBI Name (R)-simeconazole ChEBI ID CHEBI:83997 ChEBI ASCII Name (R)-simeconazole Definition A 2-(4-fluorophenyl)-1-(1,2,4-triazol-1-yl)-3-(trimethylsilyl)propan-2-ol that is the (R)-enantiomer of simeconazole. Stars This entity has been manually annotated by the ChEBI Team. 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 C14H20FN3OSi Net Charge 0 Average Mass 293.41200 Monoisotopic Mass 293.13597 InChI InChI=1S/C14H20FN3OSi/c1-20(2,3)9-14(19,8-18-11-16-10-17-18)12-4-6-13(15)7-5-12/h4-7,10-11,19H,8-9H2,1-3H3/t14-/m1/s1 InChIKey YABFPHSQTSFWQB-CQSZACIVSA-N SMILES C[Si](C)(C)C[C@](O)(Cn1cncn1)c1ccc(F)cc1 ChEBI Ontology Outgoing (R)-simeconazole (CHEBI:83997) is a 2-(4-fluorophenyl)-1-(1,2,4-triazol-1-yl)-3-(trimethylsilyl)propan-2-ol (CHEBI:83996) (R)-simeconazole (CHEBI:83997) is enantiomer of (S)-simeconazole (CHEBI:83998) Incoming simeconazole (CHEBI:81819) has part (R)-simeconazole (CHEBI:83997) (S)-simeconazole (CHEBI:83998) is enantiomer of (R)-simeconazole (CHEBI:83997) IUPAC Name (2R)-2-(4-fluorophenyl)-1-(1H-1,2,4-triazol-1-yl)-3-(trimethylsilyl)propan-2-ol Registry Number Type Source 9922183 Reaxys Registry Number Reaxys Last Modified 23 July 2015