Nombre del analito

rel-(1R,2S,3R) Metconazole Carboxylic Acid

Número CAS

1415589-03-5

Fórmula molecular

C17H20ClN3O3

Peso molecular

349.82

Masa exacta

349.12

SMILES

O[C@@]1([C@@](C)(CC[C@@H]1CC2=CC=C(Cl)C=C2)C(O)=O)CN3C=NC=N3

InChI

InChI=1S/C17H20ClN3O3/c1-16(15(22)23)7-6-13(8-12-2-4-14(18)5-3-12)17(16,24)9-21-11-19-10-20-21/h2-5,10-11,13,24H,6-9H2,1H3,(H,22,23)/t13-,16+,17+/m1/s1

IUPAC

(1R,2S,3R)-2-((1H-1,2,4-triazol-1-yl)methyl)-3-(4-chlorobenzyl)-2-hydroxy-1-methylcyclopentane-1-carboxylic acid

País de origen

CANADA

Formato del producto

Neat