(1S)-trans-(alphaS)-cypermethrin

Properties Image MNX_ID MNXM30505 reference chebi:39340 formula C22H19Cl2NO3 global charge 0 mol weight 416.304 InChIKey KAATUXNTWXVJKI-NLWGTHIKSA-N InChI InChI=1S/C22H19Cl2NO3/c1-22(2)17(12-19(23)24)20(22)21(26)28-18(13-25)14-7-6-10-16(11-14)27-15-8-4-3-5-9-15/h3-12,17-18,20H,1-2H3/t17-,18+,20+/m0/s1 SMILES CC1(C)[C@@H](C=C(Cl)Cl)[C@@H]1C(=O)O[C@H](C#N)C1=CC(OC2=CC=CC=C2)=CC=C1 MNX internals InChI (mnx) InChI=1/C22H19Cl2NO3/c1-22(2)17(12-19(23)24)20(22)21(26)28-18(13-25)14-7-6-10-16(11-14)27-15-8-4-3-5-9-15/h3-12,17-18,20H,1-2H3/t17-,18+,20+/m0/s1 SMILES (mnx) [CH3:1][C:22]1([CH3:2])[C@@H:17]([CH:12]=[C:19]([Cl:23])[Cl:24])[C@@H:20]1[C:21](=[O:26])[O:28][C@H:18]([C:13]#[N:25])[C:14]1=[CH:11][C:16]([O:27][C:15]2=[CH:8][CH:4]=[CH:3][CH:5]=[CH:9]2)=[CH:10][CH:6]=[CH:7]1

Parent-child relations graph

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