compound 0096197

Properties Image MNX_ID MNXM1169883 reference envipathM:...7e60f77a3b0a formula C12H11Cl4O4 global charge -1 mol weight 361.028 InChIKey CZJJDRCPAOLCRC-UHFFFAOYSA-M InChI InChI=1S/C12H12Cl4O4/c13-9-8(18)7-5-4(10(19)20)1-3(2-17)6(5)11(9,14)12(7,15)16/h2-9,18H,1H2,(H,19,20)/p-1 SMILES O=CC1CC(C(=O)[O-])C2C3C(O)C(Cl)C(Cl)(C12)C3(Cl)Cl MNX internals InChI (mnx) InChI=1/C12H12Cl4O4/c13-9-8(18)7-5-4(10(19)20)1-3(2-17)6(5)11(9,14)12(7,15)16/h2-9,18H,1H2,(H,19,20)/t3?,4?,5?,6?,7?,8?,9?,11? SMILES (mnx) [CH2:1]1[CH:3]([CH:2]=[O:17])[CH:6]2[CH:5]([CH:4]1[C:10](=[O:19])[OH:20])[CH:7]1[CH:8]([OH:18])[CH:9]([Cl:13])[C:11]2([Cl:14])[C:12]1([Cl:15])[Cl:16]

Parent-child relations graph

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