Analyte Name

rel-(1R,2R,5S)-Metconazole

CAS Number

155413-23-3

Molecular Formula

C17 H22 Cl N3 O2

Molecular Weight

335.82848

Accurate Mass

335.1401

SMILES

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

InChI

InChI=1S/C17H22ClN3O2/c1-16(10-22)7-6-14(8-13-2-4-15(18)5-3-13)17(16,23)9-21-12-19-11-20-21/h2-5,11-12,14,22-23H,6-10H2,1H3/t14-,16+,17+/m0/s1

IUPAC

(1R,2R,5S)-5-[(4-chlorophenyl)methyl]-2-(hydroxymethyl)-2-methyl-1-(1,2,4-triazol-1-ylmethyl)cyclopentanol

Country of Origin

CANADA

Product Format

Neat