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4,6-dinitrohexanoate

MNXM148653 is deprecated and here replaced by MNXM1368256
!!! Alternative mappings exist !!!
PropertiesImage
MNX_IDMNXM1368256 Image of MNXM1368256
referencemetacycM:CPD-17571
formulaC6H9N2O6
global charge-1
mol weight205.146
InChIKeyAXBUOPOPPOABHG-UHFFFAOYSA-M
InChIInChI=1S/C6H10N2O6/c9-6(10)2-1-5(8(13)14)3-4-7(11)12/h5H,1-4H2,(H,9,10)/p-1
SMILESO=C([O-])CCC(CC[N+](=O)[O-])[N+](=O)[O-]
MNX internals
InChI (mnx)InChI=1/C6H10N2O6/c9-6(10)2-1-5(8(13)14)3-4-7(11)12/h5H,1-4H2,(H,9,10)/t5? Image of MNXM1368256
SMILES (mnx)[CH2:1]([CH2:2][C:6](=[O:9])[OH:10])[CH:5]([CH2:3][CH2:4][N+:7]([O-:11])=[O:12])[N+:8]([O-:13])=[O:14]
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)1
in models (compartimentalized) 0
Similar chemical compounds in external resources
IdentifierDescription

metacyc.compound:CPD-17571
metacycM:CPD-17571
AXBUOPOPPOABHG-UHFFFAOYSA-M 		4,6-dinitrohexanoate

envipath:...ab8a5d6869d8
envipathM:...ab8a5d6869d8
AXBUOPOPPOABHG-UHFFFAOYSA-M 		4,6-Dinitrohexanoate