compound 0090674

Properties Image MNX_ID MNXM1182731 reference envipathM:...a9a61064c470 formula C12H8Cl6O7 global charge 0 mol weight 476.907 InChIKey UDRXKBIGRNZPON-UHFFFAOYSA-N InChI InChI=1S/C12H8Cl6O7/c13-5-6(14)10(16)4-3(9(5,15)12(10,17)18)7(21)24-8(22)11(4,23)25-2(20)1-19/h3-4,8,19,22-23H,1H2 SMILES O=C(CO)OC1(O)C(O)OC(=O)C2C1C1(Cl)C(Cl)=C(Cl)C2(Cl)C1(Cl)Cl MNX internals InChI (mnx) InChI=1/C12H8Cl6O7/c13-5-6(14)10(16)4-3(9(5,15)12(10,17)18)7(21)24-8(22)11(4,23)25-2(20)1-19/h3-4,8,19,22-23H,1H2/t3?,4?,8?,9?,10?,11? SMILES (mnx) [CH2:1]([C:2](=[O:20])[O:25][C:11]1([OH:23])[CH:4]2[CH:3]([C:7](=[O:21])[O:24][CH:8]1[OH:22])[C:9]1([Cl:15])[C:5]([Cl:13])=[C:6]([Cl:14])[C:10]2([Cl:16])[C:12]1([Cl:17])[Cl:18])[OH:19]

Parent-child relations graph

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