compound 0096510

Properties Image MNX_ID MNXM1183982 reference envipathM:...9abb2d22eff6 formula C12H6Cl5O5 global charge -1 mol weight 407.44 InChIKey AZVDKAHDHFSZTF-UHFFFAOYSA-M InChI InChI=1S/C12H7Cl5O5/c13-6-5-8-4(11(15,9(6)14)12(5,16)17)2(1-3(18)22-8)7(19)10(20)21/h2,4-5,8H,1H2,(H,20,21)/p-1 SMILES O=C1CC(C(=O)C(=O)[O-])C2C(O1)C1C(Cl)=C(Cl)C2(Cl)C1(Cl)Cl MNX internals InChI (mnx) InChI=1/C12H7Cl5O5/c13-6-5-8-4(11(15,9(6)14)12(5,16)17)2(1-3(18)22-8)7(19)10(20)21/h2,4-5,8H,1H2,(H,20,21)/t2?,4?,5?,8?,11? SMILES (mnx) [CH2:1]1[CH:2]([C:7]([C:10]([OH:20])=[O:21])=[O:19])[CH:4]2[CH:8]([CH:5]3[C:6]([Cl:13])=[C:9]([Cl:14])[C:11]2([Cl:15])[C:12]3([Cl:16])[Cl:17])[O:22][C:3]1=[O:18]

Parent-child relations graph

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