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dieldrin

PropertiesImage
MNX_IDMNXM50578 Image of MNXM50578
referencechebi:34696
formulaC12H8Cl6O
global charge0
mol weight380.913
InChIKeyDFBKLUNHFCTMDC-PICURKEMSA-N
InChIInChI=1S/C12H8Cl6O/c13-8-9(14)11(16)5-3-1-2(6-7(3)19-6)4(5)10(8,15)12(11,17)18/h2-7H,1H2/t2-,3+,4+,5-,6-,7+,10+,11-
SMILESClC1=C(Cl)[C@]2(Cl)[C@@H]3[C@@H]4C[C@@H]([C@H]5O[C@@H]45)[C@@H]3[C@@]1(Cl)C2(Cl)Cl
MNX internals
InChI (mnx)InChI=1/C12H8Cl6O/c13-8-9(14)11(16)5-3-1-2(6-7(3)19-6)4(5)10(8,15)12(11,17)18/h2-7H,1H2/t2-,3+,4+,5-,6-,7+,10+,11- Image of MNXM50578
SMILES (mnx)[CH2:1]1[C@H:2]2[C@@H:4]3[C@H:5]([C@@H:3]1[C@@H:7]1[C@H:6]2[O:19]1)[C@:11]1([Cl:16])[C:9]([Cl:14])=[C:8]([Cl:13])[C@@:10]3([Cl:15])[C:12]1([Cl:17])[Cl:18]
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

CHEBI:34696
chebi:34696
DFBKLUNHFCTMDC-PICURKEMSA-N 		dieldrin
(1R,4S,4aS,5R,6R,7S,8S,8aR)-1,2,3,4,10,10-Hexachloro-1,4,4a,5,6,7,8,8a-octahydro-6,7-epoxy-1,4:5,8-dimethanonaphthalene
(1aalpha,2beta,2aalpha,3beta,6beta,6aalpha,7beta,7aalpha)-3,4,5,6,9,9-hexachloro-1a,2,2a,3,6,6a,7,7a-octahydro-2,7:3,6-dimethanonaphtho[2,3-b]oxirene
1,2,3,4,10,10-Hexachloro-6,7-epoxy-1,4,4a,5,6,7,8,8a-octahydro-1,4-endo-exo-5,8-dimethanonaphthalene
2,7:3,6-Dimethanonaphth[2,3-b]oxirene, 3,4,5,6,9,9-hexachloro-1a,2,2a,3,6,6a,7,7a-octahydro-, (1aalpha,2beta,2aalpha,3beta,6beta,6aalpha,7beta,7aalpha)-
Dieldrin
HEOD
rel-(1R,2S,3S,6R,7R,8S,9S,11R)-3,4,5,6,13,13-hexachloro-10-oxapentacyclo[6.3.1.1(3,6).0(2,7).0(9,11)]tridec-4-ene

seed.compound:cpd09550
seedM:cpd09550
kegg.compound:C13718
keggC:C13718
DFBKLUNHFCTMDC-PICURKEMSA-N 		Dieldrin

keggC:M_C13718
seedM:M_cpd09550 		secondary/obsolete/fantasy identifier