compound 0092501

Properties Image MNX_ID MNXM1175389 reference envipathM:...376c29e794cf formula C12H12Cl4O5 global charge 0 mol weight 378.035 InChIKey BSAYGARMFMSRGI-UHFFFAOYSA-N InChI InChI=1S/C12H12Cl4O5/c13-7-4(17)6-10(20)3-1-2(8(18)21-9(3)19)5(10)11(7,14)12(6,15)16/h2-7,9,17,19-20H,1H2 SMILES O=C1OC(O)C2CC1C1C2(O)C2C(O)C(Cl)C1(Cl)C2(Cl)Cl MNX internals InChI (mnx) InChI=1/C12H12Cl4O5/c13-7-4(17)6-10(20)3-1-2(8(18)21-9(3)19)5(10)11(7,14)12(6,15)16/h2-7,9,17,19-20H,1H2/t2?,3?,4?,5?,6?,7?,9?,10?,11? SMILES (mnx) [CH2:1]1[CH:2]2[CH:5]3[C:10]([OH:20])([CH:3]1[CH:9]([OH:19])[O:21][C:8]2=[O:18])[CH:6]1[CH:4]([OH:17])[CH:7]([Cl:13])[C:11]3([Cl:14])[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