compound 0094343

Properties Image MNX_ID MNXM1195001 reference envipathM:...0d3b25f18666 formula C12H11Cl4O6 global charge -1 mol weight 393.026 InChIKey CNZSTTXLQCMKBP-UHFFFAOYSA-M InChI InChI=1S/C12H12Cl4O6/c13-4-2-9(20)7-5(11(4,14)12(9,15)16)3(1-10(7,21)22)6(17)8(18)19/h2-3,5-7,17,20-22H,1H2,(H,18,19)/p-1 SMILES O=C([O-])C(O)C1CC(O)(O)C2C1C1(Cl)C(Cl)=CC2(O)C1(Cl)Cl MNX internals InChI (mnx) InChI=1/C12H12Cl4O6/c13-4-2-9(20)7-5(11(4,14)12(9,15)16)3(1-10(7,21)22)6(17)8(18)19/h2-3,5-7,17,20-22H,1H2,(H,18,19)/t3?,5?,6?,7?,9?,11? SMILES (mnx) [CH2:1]1[CH:3]([CH:6]([C:8](=[O:18])[OH:19])[OH:17])[CH:5]2[CH:7]([C:9]3([OH:20])[CH:2]=[C:4]([Cl:13])[C:11]2([Cl:14])[C:12]3([Cl:15])[Cl:16])[C:10]1([OH:21])[OH:22]

Parent-child relations graph

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