4-phenoxythiane; 1,1,1-tris(fluoranyl)-N-nitro-methanesulfonamide

Systemtic Name: 4-phenoxythiane; 1,1,1-tris(fluoranyl)-N-nitro-methanesulfonamide Openeye Name: 4-phenoxytetrahydrothiopyran; 1,1,1-trifluoro-N-nitro-methanesulfonamide CAS Name: 4-phenoxythiane; 1,1,1-trifluoro-N-nitromethanesulfonamide IUPAC Name: 4-phenoxythiane; 1,1,1-trifluoro-N-nitromethanesulfonamide Traditional Name: 4-phenoxytetrahydrothiopyran; 1,1,1-trifluoro-N-nitro-methanesulfonamide Formula: C12H15F3N2O5S2 MolecularWeight: 388.38311

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Descriptors Computed from Structure

Canonical SMILES:

C1CSCCC1OC2=CC=CC=C2.C(F)(F)(F)S(=O)(=O)N[N+](=O)[O-]

Isomeric SMILES

C1CSCCC1OC2=CC=CC=C2.C(F)(F)(F)S(=O)(=O)N[N+](=O)[O-]

InChI

InChI=1S/C11H14OS.CHF3N2O4S/c1-2-4-10(5-3-1)12-11-6-8-13-9-7-11;2-1(3,4)11(9,10)5-6(7)8/h1-5,11H,6-9H2;5H