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compound 0094229

PropertiesImage
MNX_IDMNXM1138576 Image of MNXM1138576
referenceenvipathM:...4cfac9a3f507
formulaC12H8Cl4O4
global charge0
mol weight358.004
InChIKeyPQPZLYVLKITROB-UHFFFAOYSA-N
InChIInChI=1S/C12H8Cl4O4/c13-6-2-10(15)9(14)11(6,16)8-4(5(18)3-17)1-7(19)12(8,10)20/h2-4,8-9,20H,1H2
SMILESO=CC(=O)C1CC(=O)C2(O)C1C1(Cl)C(Cl)=CC2(Cl)C1Cl
MNX internals
InChI (mnx)InChI=1/C12H8Cl4O4/c13-6-2-10(15)9(14)11(6,16)8-4(5(18)3-17)1-7(19)12(8,10)20/h2-4,8-9,20H,1H2/t4?,8?,9?,10?,11?,12? Image of MNXM1138576
SMILES (mnx)[CH2:1]1[CH:4]([C:5]([CH:3]=[O:17])=[O:18])[CH:8]2[C:11]3([Cl:16])[C:6]([Cl:13])=[CH:2][C:10]([Cl:15])([CH:9]3[Cl:14])[C:12]2([OH:20])[C:7]1=[O:19]
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)0
in models (compartimentalized) 0
Similar chemical compounds in external resources
IdentifierDescription

envipath:...4cfac9a3f507
envipathM:...4cfac9a3f507
PQPZLYVLKITROB-UHFFFAOYSA-N
compound 0094229