compound 0097511

Properties Image MNX_ID MNXM1186826 reference envipathM:...2d41b6306a3b formula C12H6Cl5O5 global charge -1 mol weight 407.44 InChIKey GFPWMZGVBAGTSP-UHFFFAOYSA-M InChI InChI=1S/C12H7Cl5O5/c13-4-1-9(14)5-3(2-18)7(19)10(22,8(20)21)6(5)11(4,15)12(9,16)17/h1-3,5-6,22H,(H,20,21)/p-1 SMILES O=CC1C(=O)C(O)(C(=O)[O-])C2C1C1(Cl)C=C(Cl)C2(Cl)C1(Cl)Cl MNX internals InChI (mnx) InChI=1/C12H7Cl5O5/c13-4-1-9(14)5-3(2-18)7(19)10(22,8(20)21)6(5)11(4,15)12(9,16)17/h1-3,5-6,22H,(H,20,21)/t3?,5?,6?,9?,10?,11? SMILES (mnx) [CH:1]1=[C:4]([Cl:13])[C:11]2([Cl:15])[CH:6]3[CH:5]([CH:3]([CH:2]=[O:18])[C:7](=[O:19])[C:10]3([C:8](=[O:20])[OH:21])[OH:22])[C:9]1([Cl:14])[C:12]2([Cl:16])[Cl:17]

Parent-child relations graph

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