compound 0058332

Properties Image MNX_ID MNXM1194111 reference envipathM:...f4f96494abe2 formula C12H9Cl5O global charge 0 mol weight 346.468 InChIKey WQXYXZZSYDLQJK-QYXKIHDNSA-N InChI InChI=1S/C12H9Cl5O/c13-8-7-6-4-1-2-5(3-4)10(6,18)11(15,9(8)14)12(7,16)17/h1-2,4-7,18H,3H2/t4-,5+,6-,7-,10+,11+/m0/s1 SMILES O[C@]12[C@H]([C@H]3C(Cl)=C(Cl)[C@]1(Cl)C3(Cl)Cl)[C@H]1C=C[C@@H]2C1 MNX internals InChI (mnx) InChI=1/C12H9Cl5O/c13-8-7-6-4-1-2-5(3-4)10(6,18)11(15,9(8)14)12(7,16)17/h1-2,4-7,18H,3H2/t4-,5+,6-,7-,10+,11+/m0/s1 SMILES (mnx) [CH:1]1=[CH:2][C@@H:5]2[CH2:3][C@H:4]1[C@H:6]1[C@H:7]3[C:8]([Cl:13])=[C:9]([Cl:14])[C@@:11]([Cl:15])([C@@:10]21[OH:18])[C:12]3([Cl:16])[Cl:17]

Parent-child relations graph

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