(S)-hexaconazole

Properties Image MNX_ID MNXM149769 reference chebi:83713 formula C14H17Cl2N3O global charge 0 mol weight 314.216 InChIKey STMIIPIFODONDC-CQSZACIVSA-N InChI InChI=1S/C14H17Cl2N3O/c1-2-3-6-14(20,8-19-10-17-9-18-19)12-5-4-11(15)7-13(12)16/h4-5,7,9-10,20H,2-3,6,8H2,1H3/t14-/m1/s1 SMILES CCCC[C@@](O)(CN1C=NC=N1)C1=C(Cl)C=C(Cl)C=C1 MNX internals InChI (mnx) InChI=1/C14H17Cl2N3O/c1-2-3-6-14(20,8-19-10-17-9-18-19)12-5-4-11(15)7-13(12)16/h4-5,7,9-10,20H,2-3,6,8H2,1H3/t14-/m1/s1 SMILES (mnx) [CH3:1][CH2:2][CH2:3][CH2:6][C@@:14]([CH2:8][N:19]1[CH:10]=[N:17][CH:9]=[N:18]1)([C:12]1=[C:13]([Cl:16])[CH:7]=[C:11]([Cl:15])[CH:4]=[CH:5]1)[OH:20]

Parent-child relations graph

Occurences in reactions #reac in my sandbox 0 in MNXref (generic) 0 in models (compartimentalized) 0