compound 0092740

Properties Image MNX_ID MNXM1188795 reference envipathM:...290db38cb754 formula C12H7Cl5O5 global charge 0 mol weight 408.448 InChIKey ADXVPBRCPNMSGI-UHFFFAOYSA-N InChI InChI=1S/C12H7Cl5O5/c13-7-6-5-3(19)1-9(21,4(20)2-18)11(5,22)10(15,8(7)14)12(6,16)17/h2,5-6,21-22H,1H2 SMILES O=CC(=O)C1(O)CC(=O)C2C3C(Cl)=C(Cl)C(Cl)(C3(Cl)Cl)C21O MNX internals InChI (mnx) InChI=1/C12H7Cl5O5/c13-7-6-5-3(19)1-9(21,4(20)2-18)11(5,22)10(15,8(7)14)12(6,16)17/h2,5-6,21-22H,1H2/t5?,6?,9?,10?,11? SMILES (mnx) [CH2:1]1[C:3](=[O:19])[CH:5]2[CH:6]3[C:7]([Cl:13])=[C:8]([Cl:14])[C:10]([Cl:15])([C:11]2([OH:22])[C:9]1([C:4]([CH:2]=[O:18])=[O:20])[OH:21])[C:12]3([Cl:16])[Cl:17]

Parent-child relations graph

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