1-methylsulfanyl-4-nitro-cyclododecane

Systemtic Name: 1-methylsulfanyl-4-nitro-cyclododecane Openeye Name: 1-methylsulfanyl-4-nitro-cyclododecane CAS Name: 1-(methylthio)-4-nitrocyclododecane IUPAC Name: 1-methylsulfanyl-4-nitrocyclododecane Traditional Name: 1-(methylthio)-4-nitro-cyclododecane Formula: C13H25NO2S MolecularWeight: 259.4081

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Descriptors Computed from Structure

Canonical SMILES:

CSC1CCCCCCCCC(CC1)[N+](=O)[O-]

Isomeric SMILES

CSC1CCCCCCCCC(CC1)[N+](=O)[O-]

InChI

InChI=1S/C13H25NO2S/c1-17-13-9-7-5-3-2-4-6-8-12(10-11-13)14(15)16/h12-13H,2-11H2,1H3