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(1S,4R)-2,4,5-trichloro-2,5-cyclohexadiene-1-diol

PropertiesImage
MNX_IDMNXM3439 Image of MNXM3439
referencemetacycM:245-DNOL
formulaC6H5Cl3O
global charge0
mol weight199.464
InChIKeyKRQUJBMPSDPYMT-CVYQJGLWSA-N
InChIInChI=1S/C6H5Cl3O/c7-3-1-5(9)6(10)2-4(3)8/h1-3,6,10H/t3-,6+/m1/s1
SMILESO[C@H]1C=C(Cl)[C@H](Cl)C=C1Cl
MNX internals
InChI (mnx)InChI=1/C6H5Cl3O/c7-3-1-5(9)6(10)2-4(3)8/h1-3,6,10H/t3-,6+/m1/s1 Image of MNXM3439
SMILES (mnx)[CH:1]1=[C:5]([Cl:9])[C@@H:6]([OH:10])[CH:2]=[C:4]([Cl:8])[C@@H:3]1[Cl:7]
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)3
in models (compartimentalized) 0
Similar chemical compounds in external resources
IdentifierDescription

metacyc.compound:245-DNOL
metacycM:245-DNOL
KRQUJBMPSDPYMT-CVYQJGLWSA-N 		(1S,4R)-2,4,5-trichloro-2,5-cyclohexadiene-1-diol
2,4,5-DNOL

envipath:...e15ae020ed3f
envipathM:...e15ae020ed3f
KRQUJBMPSDPYMT-UHFFFAOYSA-N 		2,4,5-Trichloro-2,5-cyclohexadiene-1-ol

seed.compound:cpd04002
seedM:cpd04002
KRQUJBMPSDPYMT-UHFFFAOYSA-N 		2,4,5-Trichloro-2,5-cyclohexadiene-1-ol
(1S,4R)-2,4,5-trichloro-2,5-cyclohexadiene-1-diol
1-Hydroxyl-2,4,5-trichloro-2,5-cyclohexadiene
2,4,5-DNOL
2,4,5-trichloro-2,5-cyclohexadiene-1-diol

kegg.compound:C06598
keggC:C06598
KRQUJBMPSDPYMT-UHFFFAOYSA-N 		2,4,5-Trichloro-2,5-cyclohexadiene-1-ol
1-Hydroxyl-2,4,5-trichloro-2,5-cyclohexadiene

CHEBI:28989
chebi:28989
KRQUJBMPSDPYMT-UHFFFAOYSA-N 		2,4,5-trichlorocyclohexa-2,5-dien-1-ol
1-Hydroxyl-2,4,5-trichloro-2,5-cyclohexadiene
2,4,5-Trichloro-2,5-cyclohexadiene-1-ol

chebi:19329
chebi:895
keggC:M_C06598
seedM:M_cpd04002 		secondary/obsolete/fantasy identifier