compound 0085635

Properties Image MNX_ID MNXM1186125 reference envipathM:...68ae0c18013c formula C12H8Cl5O5 global charge -1 mol weight 409.456 InChIKey BBGPZJFJXNKTJI-UHFFFAOYSA-M InChI InChI=1S/C12H9Cl5O5/c13-6-7(14)11(15)9(21)4(8(19)20)1-3(2-18)5(9)10(6,22)12(11,16)17/h2-5,21-22H,1H2,(H,19,20)/p-1 SMILES O=CC1CC(C(=O)[O-])C2(O)C1C1(O)C(Cl)=C(Cl)C2(Cl)C1(Cl)Cl MNX internals InChI (mnx) InChI=1/C12H9Cl5O5/c13-6-7(14)11(15)9(21)4(8(19)20)1-3(2-18)5(9)10(6,22)12(11,16)17/h2-5,21-22H,1H2,(H,19,20)/t3?,4?,5?,9?,10?,11? SMILES (mnx) [CH2:1]1[CH:3]([CH:2]=[O:18])[CH:5]2[C:9]([OH:21])([CH:4]1[C:8](=[O:19])[OH:20])[C:11]1([Cl:15])[C:7]([Cl:14])=[C:6]([Cl:13])[C:10]2([OH:22])[C:12]1([Cl:16])[Cl:17]

Parent-child relations graph

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