compound 0095061

Properties Image MNX_ID MNXM1194869 reference envipathM:...4050775887fe formula C12H12Cl3O5 global charge -1 mol weight 342.582 InChIKey VUUYLXFZAPGIBT-UHFFFAOYSA-M InChI InChI=1S/C12H13Cl3O5/c13-5-2-10(14)3-11(5,15)12(20)6(16)1-4(8(10)12)7(17)9(18)19/h2,4,6-8,16-17,20H,1,3H2,(H,18,19)/p-1 SMILES O=C([O-])C(O)C1CC(O)C2(O)C1C1(Cl)C=C(Cl)C2(Cl)C1 MNX internals InChI (mnx) InChI=1/C12H13Cl3O5/c13-5-2-10(14)3-11(5,15)12(20)6(16)1-4(8(10)12)7(17)9(18)19/h2,4,6-8,16-17,20H,1,3H2,(H,18,19)/t4?,6?,7?,8?,10?,11?,12? SMILES (mnx) [CH2:1]1[CH:4]([CH:7]([C:9](=[O:18])[OH:19])[OH:17])[CH:8]2[C:10]3([Cl:14])[CH:2]=[C:5]([Cl:13])[C:11]([Cl:15])([CH2:3]3)[C:12]2([OH:20])[CH:6]1[OH:16]

Parent-child relations graph

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