compound 0089905

Properties Image MNX_ID MNXM1198131 reference envipathM:...17dbec5fe316 formula C12H8Cl5O5 global charge -1 mol weight 409.456 InChIKey QOASXQRXFVOMMQ-UHFFFAOYSA-M InChI InChI=1S/C12H9Cl5O5/c13-6-8(14)11(15,12(16,17)9(6)20)5(10(21)22)3-1-2-4(18)7(3)19/h3,5,9,20H,1-2H2,(H,21,22)/p-1 SMILES O=C1CCC(C(C(=O)[O-])C2(Cl)C(Cl)=C(Cl)C(O)C2(Cl)Cl)C1=O MNX internals InChI (mnx) InChI=1/C12H9Cl5O5/c13-6-8(14)11(15,12(16,17)9(6)20)5(10(21)22)3-1-2-4(18)7(3)19/h3,5,9,20H,1-2H2,(H,21,22)/t3?,5?,9?,11? SMILES (mnx) [CH2:1]1[CH2:2][C:4](=[O:18])[C:7](=[O:19])[CH:3]1[CH:5]([C:10](=[O:21])[OH:22])[C:11]1([Cl:15])[C:8]([Cl:14])=[C:6]([Cl:13])[CH:9]([OH:20])[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