compound 0097601

Properties Image MNX_ID MNXM1195700 reference envipathM:...e0c2388c36d4 formula C12H10Cl3O4 global charge -1 mol weight 324.567 InChIKey ITPIXDWTMAUZAM-UHFFFAOYSA-M InChI InChI=1S/C12H11Cl3O4/c13-8-9(14)12(19)3-11(8,15)6-4(2-16)1-5(7(6)12)10(17)18/h2,4-7,19H,1,3H2,(H,17,18)/p-1 SMILES O=CC1CC(C(=O)[O-])C2C1C1(Cl)CC2(O)C(Cl)=C1Cl MNX internals InChI (mnx) InChI=1/C12H11Cl3O4/c13-8-9(14)12(19)3-11(8,15)6-4(2-16)1-5(7(6)12)10(17)18/h2,4-7,19H,1,3H2,(H,17,18)/t4?,5?,6?,7?,11?,12? SMILES (mnx) [CH2:1]1[CH:4]([CH:2]=[O:16])[CH:6]2[CH:7]([CH:5]1[C:10](=[O:17])[OH:18])[C:12]1([OH:19])[CH2:3][C:11]2([Cl:15])[C:8]([Cl:13])=[C:9]1[Cl:14]

Parent-child relations graph

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