compound 0093428

Properties Image MNX_ID MNXM1175946 reference envipathM:...048fe421df09 formula C12H7Cl5O6 global charge 0 mol weight 424.447 InChIKey IYVGIHDFKQQLAJ-UHFFFAOYSA-N InChI InChI=1S/C12H7Cl5O6/c13-3-4-11(22)8(20)1-2(23-7(19)6(8)18)10(11,21)9(15,5(3)14)12(4,16)17/h2,4,20-22H,1H2 SMILES O=C1OC2CC(O)(C1=O)C1(O)C3C(Cl)=C(Cl)C(Cl)(C3(Cl)Cl)C21O MNX internals InChI (mnx) InChI=1/C12H7Cl5O6/c13-3-4-11(22)8(20)1-2(23-7(19)6(8)18)10(11,21)9(15,5(3)14)12(4,16)17/h2,4,20-22H,1H2/t2?,4?,8?,9?,10?,11? SMILES (mnx) [CH2:1]1[CH:2]2[C:10]3([OH:21])[C:9]4([Cl:15])[C:5]([Cl:14])=[C:3]([Cl:13])[CH:4]([C:11]3([OH:22])[C:8]1([OH:20])[C:6](=[O:18])[C:7](=[O:19])[O:23]2)[C:12]4([Cl:16])[Cl:17]

Parent-child relations graph

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