compound 0093801

Properties Image MNX_ID MNXM1195291 reference envipathM:...943acf83d3f2 formula C12H12Cl3O5 global charge -1 mol weight 342.582 InChIKey FGWIQHQSUSYKDN-UHFFFAOYSA-M InChI InChI=1S/C12H13Cl3O5/c13-9-10(14)1-2-11(9,15)12(20)5(16)3-4(7(10)12)6(17)8(18)19/h1-2,4-7,9,16-17,20H,3H2,(H,18,19)/p-1 SMILES O=C([O-])C(O)C1CC(O)C2(O)C1C1(Cl)C=CC2(Cl)C1Cl MNX internals InChI (mnx) InChI=1/C12H13Cl3O5/c13-9-10(14)1-2-11(9,15)12(20)5(16)3-4(7(10)12)6(17)8(18)19/h1-2,4-7,9,16-17,20H,3H2,(H,18,19)/t4?,5?,6?,7?,9?,10?,11?,12? SMILES (mnx) [CH:1]1=[CH:2][C:11]2([Cl:15])[CH:9]([Cl:13])[C:10]1([Cl:14])[CH:7]1[CH:4]([CH:6]([C:8](=[O:18])[OH:19])[OH:17])[CH2:3][CH:5]([OH:16])[C:12]12[OH:20]

Parent-child relations graph

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