25975 -OEChem-09272320472D 7 6 0 0 0 0 0 0 0999 V2000 2.0000 0.2500 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -1.2500 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -0.2500 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 3.7320 1.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 0.3700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 5 1 0 0 0 0 2 5 1 0 0 0 0 3 6 1 0 0 0 0 4 6 2 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 M CHG 1 3 -1 M END > 25975 > 1 > 55.1 > 2 > 0 > 0 > AAADcQBAMAAGAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAGgIAAAAAAAOAgMAACAAAAAAIAACQCAAAAAAAAAAAAAAAAQBAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA== > 2,2-dichloroacetate > 2,2-dichloroacetate > 2,2-dichloroacetate > 2,2-dichloroacetate > 2,2-bis(chloranyl)ethanoate > 2,2-dichloroacetate > InChI=1S/C2H2Cl2O2/c3-1(4)2(5)6/h1H,(H,5,6)/p-1 > JXTHNDFMNIQAHM-UHFFFAOYSA-M > 1.8 > 126.9353597 > C2HCl2O2- > 127.93 > C(C(=O)[O-])(Cl)Cl > C(C(=O)[O-])(Cl)Cl > 40.1 > 126.9353597 > -1 > 6 > 0 > 0 > 0 > 0 > 0 > 1 > 1 > 1 5 255 $$$$