(4-nitrocyclohexen-1-yl)methylsulfanylbenzene

Systemtic Name: (4-nitrocyclohexen-1-yl)methylsulfanylbenzene Openeye Name: (4-nitrocyclohexen-1-yl)methylsulfanylbenzene CAS Name: [(4-nitro-1-cyclohexenyl)methylthio]benzene IUPAC Name: (4-nitrocyclohexen-1-yl)methylsulfanylbenzene Traditional Name: [(4-nitrocyclohexen-1-yl)methylthio]benzene Formula: C13H15NO2S MolecularWeight: 249.3287

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(=CCC1[N+](=O)[O-])CSC2=CC=CC=C2

Isomeric SMILES

C1CC(=CCC1[N+](=O)[O-])CSC2=CC=CC=C2

InChI

InChI=1S/C13H15NO2S/c15-14(16)12-8-6-11(7-9-12)10-17-13-4-2-1-3-5-13/h1-6,12H,7-10H2