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compound 0094046

PropertiesImage
MNX_IDMNXM1181009 Image of MNXM1181009
referenceenvipathM:...b9e980500f5b
formulaC12H8Cl4O4
global charge0
mol weight358.004
InChIKeyNENUYFZPJSBTHC-UHFFFAOYSA-N
InChIInChI=1S/C12H8Cl4O4/c13-4-2-11(14)10(20)6(7(4)12(11,15)16)3-1-5(17)9(19)8(3)18/h2-3,6-8,18H,1H2
SMILESO=C1CC(C2C(=O)C3(Cl)C=C(Cl)C2C3(Cl)Cl)C(O)C1=O
MNX internals
InChI (mnx)InChI=1/C12H8Cl4O4/c13-4-2-11(14)10(20)6(7(4)12(11,15)16)3-1-5(17)9(19)8(3)18/h2-3,6-8,18H,1H2/t3?,6?,7?,8?,11? Image of MNXM1181009
SMILES (mnx)[CH2:1]1[CH:3]([CH:6]2[CH:7]3[C:4]([Cl:13])=[CH:2][C:11]([Cl:14])([C:10]2=[O:20])[C:12]3([Cl:15])[Cl:16])[CH:8]([OH:18])[C:9](=[O:19])[C:5]1=[O:17]
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:...b9e980500f5b
envipathM:...b9e980500f5b
NENUYFZPJSBTHC-UHFFFAOYSA-N
compound 0094046