compound 0097768

Properties Image MNX_ID MNXM1176507 reference envipathM:...6133c1b76ba1 formula C12H9Cl4O5 global charge -1 mol weight 375.011 InChIKey ASBQXCLPGCGWNZ-UHFFFAOYSA-M InChI InChI=1S/C12H10Cl4O5/c13-7-8(14)12(21)4-2(1-17)6(18)3(9(19)20)5(4)11(7,16)10(12)15/h1-6,10,18,21H,(H,19,20)/p-1 SMILES O=CC1C(O)C(C(=O)[O-])C2C1C1(O)C(Cl)=C(Cl)C2(Cl)C1Cl MNX internals InChI (mnx) InChI=1/C12H10Cl4O5/c13-7-8(14)12(21)4-2(1-17)6(18)3(9(19)20)5(4)11(7,16)10(12)15/h1-6,10,18,21H,(H,19,20)/t2?,3?,4?,5?,6?,10?,11?,12? SMILES (mnx) [CH:1]([CH:2]1[CH:4]2[CH:5]([CH:3]([C:9](=[O:19])[OH:20])[CH:6]1[OH:18])[C:11]1([Cl:16])[C:7]([Cl:13])=[C:8]([Cl:14])[C:12]2([OH:21])[CH:10]1[Cl:15])=[O:17]

Parent-child relations graph

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