(-)-cis-(S)-allethrin

Properties Image MNX_ID MNXM30272 reference chebi:39139 formula C19H26O3 global charge 0 mol weight 302.414 InChIKey ZCVAOQKBXKSDMS-HYVNUMGLSA-N InChI InChI=1S/C19H26O3/c1-7-8-13-12(4)16(10-15(13)20)22-18(21)17-14(9-11(2)3)19(17,5)6/h7,9,14,16-17H,1,8,10H2,2-6H3/t14-,16+,17-/m1/s1 SMILES C=CCC1=C(C)[C@@H](OC(=O)[C@H]2[C@@H](C=C(C)C)C2(C)C)CC1=O MNX internals InChI (mnx) InChI=1/C19H26O3/c1-7-8-13-12(4)16(10-15(13)20)22-18(21)17-14(9-11(2)3)19(17,5)6/h7,9,14,16-17H,1,8,10H2,2-6H3/t14-,16+,17-/m1/s1 SMILES (mnx) [CH2:1]=[CH:7][CH2:8][C:13]1=[C:12]([CH3:4])[C@@H:16]([O:22][C:18]([C@H:17]2[C@@H:14]([CH:9]=[C:11]([CH3:2])[CH3:3])[C:19]2([CH3:5])[CH3:6])=[O:21])[CH2:10][C:15]1=[O:20]

Parent-child relations graph

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