compound 0095012

Properties Image MNX_ID MNXM1174280 reference envipathM:...7c03ab99fb05 formula C12H9Cl5O4 global charge 0 mol weight 394.465 InChIKey VRZVTWPFWPMGQQ-UHFFFAOYSA-N InChI InChI=1S/C12H9Cl5O4/c13-7-8(14)12(17)9(21)4(11(7,16)10(12)15)2-1-3(18)6(20)5(2)19/h2-4,7-8,10,18H,1H2 SMILES O=C1C(=O)C(C2C(=O)C3(Cl)C(Cl)C(Cl)C2(Cl)C3Cl)CC1O MNX internals InChI (mnx) InChI=1/C12H9Cl5O4/c13-7-8(14)12(17)9(21)4(11(7,16)10(12)15)2-1-3(18)6(20)5(2)19/h2-4,7-8,10,18H,1H2/t2?,3?,4?,7?,8?,10?,11?,12? SMILES (mnx) [CH2:1]1[CH:2]([CH:4]2[C:9](=[O:21])[C:12]3([Cl:17])[CH:8]([Cl:14])[CH:7]([Cl:13])[C:11]2([Cl:16])[CH:10]3[Cl:15])[C:5](=[O:19])[C:6](=[O:20])[CH:3]1[OH:18]

Parent-child relations graph

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