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1-(methylsulfanyl)-8-aci-nitrooctane

MNXM10452 is deprecated and here replaced by MNXM1105007
!!! Alternative mappings exist !!!
PropertiesImage
MNX_IDMNXM1105007 Image of MNXM1105007
referencemetacycM:CPD-12401
formulaC9H19NO2S
global charge0
mol weight205.323
InChIKeyLXZOOYJPYFVQFL-UHFFFAOYSA-N
InChIInChI=1S/C9H19NO2S/c1-13-9-7-5-3-2-4-6-8-10(11)12/h8H,2-7,9H2,1H3,(H,11,12)
SMILESCSCCCCCCC/C=[N+](\[O-])O
MNX internals
InChI (mnx)InChI=1/C9H19NO2S/c1-13-9-7-5-3-2-4-6-8-10(11)12/h8H,2-7,9H2,1H3,(H,11,12) Image of MNXM1105007
SMILES (mnx)[CH3:1][S:13][CH2:9][CH2:7][CH2:5][CH2:3][CH2:2][CH2:4][CH2:6][CH:8]=[N+:10]([O-:11])[OH:12]
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-12401
metacycM:CPD-12401
LXZOOYJPYFVQFL-UHFFFAOYSA-N 		1-(methylsulfanyl)-8-aci-nitrooctane
8-(methylsulfanyl)octan-1-ylideneazinate