compound 0097021

Properties Image MNX_ID MNXM1195931 reference envipathM:...44a841f755d0 formula C12H12Cl4O5 global charge 0 mol weight 378.035 InChIKey OREULGANEWFLJT-UHFFFAOYSA-N InChI InChI=1S/C12H12Cl4O5/c13-4-2-9(20)11(21)6(10(4,14)12(9,15)16)3-1-8(11,19)7(18)5(3)17/h3-6,17,19-21H,1-2H2 SMILES O=C1C(O)C2CC1(O)C1(O)C2C2(Cl)C(Cl)CC1(O)C2(Cl)Cl MNX internals InChI (mnx) InChI=1/C12H12Cl4O5/c13-4-2-9(20)11(21)6(10(4,14)12(9,15)16)3-1-8(11,19)7(18)5(3)17/h3-6,17,19-21H,1-2H2/t3?,4?,5?,6?,8?,9?,10?,11? SMILES (mnx) [CH2:1]1[CH:3]2[CH:5]([OH:17])[C:7](=[O:18])[C:8]1([OH:19])[C:11]1([OH:21])[CH:6]2[C:10]2([Cl:14])[CH:4]([Cl:13])[CH2:2][C:9]1([OH:20])[C:12]2([Cl:15])[Cl:16]

Parent-child relations graph

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