compound 0083050

Properties Image MNX_ID MNXM1185438 reference envipathM:...c79e92ab2b8c formula C12H10Cl4O5 global charge 0 mol weight 376.019 InChIKey ATWWMJXZEHEWBW-UHFFFAOYSA-N InChI InChI=1S/C12H10Cl4O5/c13-4-5(14)11(20)3-2(10(4,19)12(11,15)16)8(17)1-9(3,18)7-6(8)21-7/h2-3,6-7,17-20H,1H2 SMILES OC12CC(O)(C3OC31)C1C2C2(O)C(Cl)=C(Cl)C1(O)C2(Cl)Cl MNX internals InChI (mnx) InChI=1/C12H10Cl4O5/c13-4-5(14)11(20)3-2(10(4,19)12(11,15)16)8(17)1-9(3,18)7-6(8)21-7/h2-3,6-7,17-20H,1H2/t2?,3?,6?,7?,8?,9?,10?,11? SMILES (mnx) [CH2:1]1[C:8]2([OH:17])[CH:2]3[CH:3]([C:9]1([OH:18])[CH:7]1[CH:6]2[O:21]1)[C:11]1([OH:20])[C:5]([Cl:14])=[C:4]([Cl:13])[C:10]3([OH:19])[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