compound 0098242

Properties Image MNX_ID MNXM1194391 reference envipathM:...bd2dde95585d formula C12H10Cl5O7 global charge -1 mol weight 443.47 InChIKey YKBBDGIHJMVHMF-UHFFFAOYSA-M InChI InChI=1S/C12H11Cl5O7/c13-4-5(14)11(15)9(23)2(3(18)6(19)20)1-8(21,22)7(9)10(4,24)12(11,16)17/h2-3,7,18,21-24H,1H2,(H,19,20)/p-1 SMILES O=C([O-])C(O)C1CC(O)(O)C2C3(O)C(Cl)=C(Cl)C(Cl)(C12O)C3(Cl)Cl MNX internals InChI (mnx) InChI=1/C12H11Cl5O7/c13-4-5(14)11(15)9(23)2(3(18)6(19)20)1-8(21,22)7(9)10(4,24)12(11,16)17/h2-3,7,18,21-24H,1H2,(H,19,20)/t2?,3?,7?,9?,10?,11? SMILES (mnx) [CH2:1]1[CH:2]([CH:3]([C:6](=[O:19])[OH:20])[OH:18])[C:9]2([OH:23])[CH:7]([C:8]1([OH:21])[OH:22])[C:10]1([OH:24])[C:4]([Cl:13])=[C:5]([Cl:14])[C:11]2([Cl:15])[C:12]1([Cl:16])[Cl:17]

Parent-child relations graph

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