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2,4-dinitrocyclohexan-1-one

MNXM147711 is deprecated and here replaced by MNXM1106799
!!! Alternative mappings exist !!!
PropertiesImage
MNX_IDMNXM1106799 Image of MNXM1106799
referencemetacycM:CPD-17568
formulaC6H8N2O5
global charge0
mol weight188.139
InChIKeyGPKRHFYXRDXPPS-UHFFFAOYSA-N
InChIInChI=1S/C6H8N2O5/c9-6-2-1-4(7(10)11)3-5(6)8(12)13/h4-5H,1-3H2
SMILESO=C1CCC([N+](=O)[O-])CC1[N+](=O)[O-]
MNX internals
InChI (mnx)InChI=1/C6H8N2O5/c9-6-2-1-4(7(10)11)3-5(6)8(12)13/h4-5H,1-3H2/t4?,5? Image of MNXM1106799
SMILES (mnx)[CH2:1]1[CH2:2][C:6](=[O:9])[CH:5]([N+:8]([O-:12])=[O:13])[CH2:3][CH:4]1[N+:7]([O-:10])=[O:11]
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)2
in models (compartimentalized) 0
Similar chemical compounds in external resources
IdentifierDescription

metacyc.compound:CPD-17568
metacycM:CPD-17568
GPKRHFYXRDXPPS-UHFFFAOYSA-N 		2,4-dinitrocyclohexan-1-one

envipath:...2d685b467a92
envipathM:...2d685b467a92
GPKRHFYXRDXPPS-UHFFFAOYSA-N 		2,4-Dinitrocyclohexanone