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1-(methylsulfanyl)-7-aci-nitroheptane

MNXM10425 is deprecated and here replaced by MNXM1105005
!!! Alternative mappings exist !!!
PropertiesImage
MNX_IDMNXM1105005 Image of MNXM1105005
referencemetacycM:CPD-12398
formulaC8H17NO2S
global charge0
mol weight191.296
InChIKeyKNGCMXYOIZUVFL-UHFFFAOYSA-N
InChIInChI=1S/C8H17NO2S/c1-12-8-6-4-2-3-5-7-9(10)11/h7H,2-6,8H2,1H3,(H,10,11)
SMILESCSCCCCCC/C=[N+](\[O-])O
MNX internals
InChI (mnx)InChI=1/C8H17NO2S/c1-12-8-6-4-2-3-5-7-9(10)11/h7H,2-6,8H2,1H3,(H,10,11) Image of MNXM1105005
SMILES (mnx)[CH3:1][S:12][CH2:8][CH2:6][CH2:4][CH2:2][CH2:3][CH2:5][CH:7]=[N+:9]([O-:10])[OH: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-12398
metacycM:CPD-12398
KNGCMXYOIZUVFL-UHFFFAOYSA-N 		1-(methylsulfanyl)-7-aci-nitroheptane
7-(methylsulfanyl)heptan-1-ylideneazinate