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1-(methylsulfanyl)-6-aci-nitrohexane

MNXM10373 is deprecated and here replaced by MNXM1104997
!!! Alternative mappings exist !!!
PropertiesImage
MNX_IDMNXM1104997 Image of MNXM1104997
referencemetacycM:CPD-12395
formulaC7H15NO2S
global charge0
mol weight177.269
InChIKeyJTDCVVYTRKWMAE-UHFFFAOYSA-N
InChIInChI=1S/C7H15NO2S/c1-11-7-5-3-2-4-6-8(9)10/h6H,2-5,7H2,1H3,(H,9,10)
SMILESCSCCCCC/C=[N+](\[O-])O
MNX internals
InChI (mnx)InChI=1/C7H15NO2S/c1-11-7-5-3-2-4-6-8(9)10/h6H,2-5,7H2,1H3,(H,9,10) Image of MNXM1104997
SMILES (mnx)[CH3:1][S:11][CH2:7][CH2:5][CH2:3][CH2:2][CH2:4][CH:6]=[N+:8]([O-:9])[OH:10]
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-12395
metacycM:CPD-12395
JTDCVVYTRKWMAE-UHFFFAOYSA-N 		1-(methylsulfanyl)-6-aci-nitrohexane
6-(methylsulfanyl)hexan-1-ylideneazinate