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compound 0085873

PropertiesImage
MNX_IDMNXM1188560 Image of MNXM1188560
referenceenvipathM:...1f9f0d221d4b
formulaC12H8Cl4O4
global charge0
mol weight358.004
InChIKeyRTOYQBIVKSYSER-UHFFFAOYSA-N
InChIInChI=1S/C12H8Cl4O4/c13-7-5-3-2-1-11(19,10(18)20-9(2)17)4(3)6(8(7)14)12(5,15)16/h2-6,19H,1H2
SMILESO=C1OC(=O)C2(O)CC1C1C2C2C(Cl)=C(Cl)C1C2(Cl)Cl
MNX internals
InChI (mnx)InChI=1/C12H8Cl4O4/c13-7-5-3-2-1-11(19,10(18)20-9(2)17)4(3)6(8(7)14)12(5,15)16/h2-6,19H,1H2/t2?,3?,4?,5?,6?,11? Image of MNXM1188560
SMILES (mnx)[CH2:1]1[CH:2]2[CH:3]3[CH:4]([CH:6]4[C:8]([Cl:14])=[C:7]([Cl:13])[CH:5]3[C:12]4([Cl:15])[Cl:16])[C:11]1([OH:19])[C:10](=[O:18])[O:20][C:9]2=[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:...1f9f0d221d4b
envipathM:...1f9f0d221d4b
RTOYQBIVKSYSER-UHFFFAOYSA-N
compound 0085873