compound 0088897

Properties Image MNX_ID MNXM1177553 reference envipathM:...caff3ceeb85d formula C12H12Cl4O5 global charge 0 mol weight 378.035 InChIKey DNLHPPYZCPUUAH-UHFFFAOYSA-N InChI InChI=1S/C12H12Cl4O5/c13-4-5(14)10(18)7(15)9(4,16)11(19)2-1-8(17,12(10,11)20)6-3(2)21-6/h2-7,17-20H,1H2 SMILES OC12CC(C3OC31)C1(O)C3(Cl)C(Cl)C(Cl)C(O)(C3Cl)C21O MNX internals InChI (mnx) InChI=1/C12H12Cl4O5/c13-4-5(14)10(18)7(15)9(4,16)11(19)2-1-8(17,12(10,11)20)6-3(2)21-6/h2-7,17-20H,1H2/t2?,3?,4?,5?,6?,7?,8?,9?,10?,11?,12? SMILES (mnx) [CH2:1]1[CH:2]2[CH:3]3[CH:6]([C:8]1([OH:17])[C:12]1([OH:20])[C:10]4([OH:18])[CH:5]([Cl:14])[CH:4]([Cl:13])[C:9]([Cl:16])([CH:7]4[Cl:15])[C:11]21[OH:19])[O:21]3

Parent-child relations graph

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